SCHEMBL83132

SCHEMBL83132

Cc1c(Cl)cc(O)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.58
HSD17B10 Q99714 5/20 0.58
HPGD P15428 3/20 0.58
CRHBP P24387 1/20 0.58
CRHR2 Q13324 1/20 0.58
CHRM1 P11229 1/20 0.52
ALOX15 P16050 1/20 0.52
MAOA P21397 1/20 0.52
TBXA2R P21731 1/20 0.52
ADRA1A P35348 1/20 0.52
HTR2B P41595 1/20 0.52
ALDH1A1 P00352 2/20 0.45
BACE1 P56817 1/20 0.41
TP53 P04637 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
TTR P02766 3/20 0.39
MEN1 O00255 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Ammonia Solution, Strong SCHEMBL10706299 0.97 CYP3A4 (0.55) CYP3A4HSD17B10HPGDCRHBPCRHR2
SCHEMBL7786855 0.86 CYP3A4 (0.50) CYP3A4HSD17B10HPGDCRHBPCRHR2
SCHEMBL7723822 0.86 CYP3A4 (0.59) CYP3A4HSD17B10HPGDCRHBPCRHR2
SCHEMBL22265086 0.82 CYP3A4 (0.46) CYP3A4HSD17B10HPGDCRHBPCRHR2
SCHEMBL27427301 0.82 CYP3A4 (0.46) CYP3A4HSD17B10HPGDCRHBPCRHR2
SCHEMBL26500861 0.78 LMNA (0.48) CYP3A4HSD17B10HPGDCRHBPCRHR2
SCHEMBL13981294 0.77 ESR1 (0.42) CYP3A4HSD17B10HPGDCRHBPCRHR2
SCHEMBL14435154 0.77 CA5A (0.41) CYP3A4HSD17B10HPGDCRHBPCRHR2
SCHEMBL27427362 0.75 PTPN1 (0.44) CYP3A4HSD17B10HPGDCRHBPCRHR2
SCHEMBL3788864 0.75 CYP3A4 (0.59) CYP3A4HSD17B10HPGDCRHBPCRHR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 124 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030125329-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-07-03 US claimed
US-20030125328-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-07-03 US claimed
US-20030119833-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-06-26 US claimed
US-20030114454-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-06-19 US claimed
US-20030109528-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-06-12 US claimed
US-20030105100-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-06-05 US claimed
US-20030100559-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-05-29 US claimed
US-20030096818-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-05-22 US claimed
US-20030087905-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-05-08 US claimed
US-20030083331-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-05-01 US claimed
US-20030032644-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-02-13 US claimed
US-20020165232-A1 Substituted N, N-disubstituted cycloalkyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-11-07 US claimed
US-20020165231-A1 Substituted N-heteroaryl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-11-07 US claimed
EP-1115693-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP claimed
WO-2000018721-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO claimed
US-20160290036-A1 HEAT-SHIELDING MATERIAL AND WINDOW GLASS FUJIFILM CORPORATION (JP) 2016-10-06 US disclosed
US-20160290036-A1 HEAT-SHIELDING MATERIAL AND WINDOW GLASS FUJIFILM CORPORATION (JP) 2016-10-06 US disclosed
EP-0009190-B1 CURABLE COMPOSITION USEFUL FOR SCREEN-PRINTING, A CURED COATING COMPRISING SAID COMPOSITION AND PROCESS FOR SOLDERING PRINTED CIRCUIT BOARDS USING SAID COMPOSITION International Business Machines Corporation (US) 1982-04-28 EP disclosed
US-4292230-A Screen-printing composition and use thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1981-09-29 US disclosed
EP-0009190-A1 Curable composition useful for screen-printing, a cured coating comprising said composition and process for soldering printed circuit boards using said composition International Business Machines Corporation (US) 1980-04-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030114454-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT CYP3A4 1181/4885HSD17B10 374/4885HPGD 3701/4885
US-20030125328-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT CYP3A4 1181/4885HSD17B10 374/4885HPGD 3701/4885
US-20030105100-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT CYP3A4 1181/4885HSD17B10 374/4885HPGD 3701/4885
US-20030096818-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT CYP3A4 1181/4885HSD17B10 374/4885HPGD 3701/4885
US-20020165231-A1 Substituted N-heteroaryl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, LCAT, MTTP CYP3A4 1805/4885HSD17B10 419/4885HPGD 2926/4885
US-20030109528-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT CYP3A4 1181/4885HSD17B10 374/4885HPGD 3701/4885
US-20030087905-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT CYP3A4 1181/4885HSD17B10 374/4885HPGD 3701/4885
US-20030119833-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT CYP3A4 1181/4885HSD17B10 374/4885HPGD 3701/4885
US-20030100559-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT CYP3A4 1181/4885HSD17B10 374/4885HPGD 3701/4885
US-20030083331-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT CYP3A4 1181/4885HSD17B10 374/4885HPGD 3701/4885
US-20030032644-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, PCTP CYP3A4 942/4885HSD17B10 257/4885HPGD 4371/4885
US-20020165232-A1 Substituted N, N-disubstituted cycloalkyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, PLTP CYP3A4 2730/4885HSD17B10 553/4885HPGD 2907/4885
US-20030125329-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT CYP3A4 1181/4885HSD17B10 374/4885HPGD 3701/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.