SCHEMBL357480

SCHEMBL357480

COc1c(F)c(F)c(CO)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
IMPDH2 P12268 4/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
CYP2C9 P11712 2/20 0.33
CYP1A2 P05177 1/20 0.33
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.31
BUB1 O43683 1/20 0.31
POLB P06746 2/20 0.30
GFER P55789 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TSHR P16473 1/20 0.30
PDE5A O76074 1/20 0.30
PDE4A P27815 1/20 0.30
PDE1A P54750 1/20 0.30
PDE1B Q01064 1/20 0.30
PDE4B Q07343 1/20 0.30

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
SCHEMBL9766111 0.91 CA2 (0.43) CA2CA4IMPDH2HSD17B10
SCHEMBL28274628 0.87 CA2 (0.41) CA2CA4IMPDH2MEN1KMT2A
Propionic Acid SCHEMBL28282750 0.86 CA2 (0.41) CA2CA4IMPDH2MEN1KMT2A
SCHEMBL9766027 0.85 CA2 (0.46) CA2CA4IMPDH2MAPTPDE5A
SCHEMBL9785635 0.81 CA2 (0.39) CA2CA4
SCHEMBL9766119 0.78 CA2 (0.41) CA2CA4IMPDH2
SCHEMBL3763099 0.78 HSD17B10 (0.41) CA2MEN1KMT2ACYP2C9CYP1A2
SCHEMBL522934 0.78 POLB (0.33) POLBSMN1; SMN2
SCHEMBL13753996 0.77 PTGS2 (0.34) CA2CA4IMPDH2HSD17B10BUB1
SCHEMBL9766039 0.76 CA2 (0.43) CA2CA4IMPDH2

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 162 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
EP-2971065-B1 ACTIVITY-BASED PROBE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE UNIV LELAND STANFORD JUNIOR (US) 2022-12-14 EP disclosed
CN-103641686-B Synthetic method of 2,3,5,6-tetrafluoro-1,4-benzenedimethanol LIANYUNGANG CCA CHEMICAL CO LTD 2015-07-01 CN disclosed
US-4405640-A Substituted fluorobenzyl cyclopropane carboxylates useful as insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-09-20 US disclosed
EP-0060617-A1 Fluorobenzyl cyclopropane carboxylates, their preparation, compositions and use as insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-09-22 EP disclosed
EP-0031199-A1 Substituted benzyl esters of cyclopropane carboxylic acids and their preparation, compositions containing them and methods of combating insect pests therewith, and substituted benzyl alcohols IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-07-01 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 CA2 4443/4885CA4 4403/4885IMPDH2 4267/4885
US-20030125328-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT CA2 4443/4885CA4 4403/4885IMPDH2 4267/4885
US-20030105100-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT CA2 4443/4885CA4 4403/4885IMPDH2 4267/4885
US-20030096818-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT CA2 4443/4885CA4 4403/4885IMPDH2 4267/4885
US-20020165231-A1 Substituted N-heteroaryl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, LCAT, MTTP CA2 4562/4885CA4 4643/4885IMPDH2 3167/4885
US-20030109528-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT CA2 4443/4885CA4 4403/4885IMPDH2 4267/4885
US-20030087905-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT CA2 4443/4885CA4 4403/4885IMPDH2 4267/4885
US-20030119833-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT CA2 4443/4885CA4 4403/4885IMPDH2 4267/4885
US-20030100559-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT CA2 4443/4885CA4 4403/4885IMPDH2 4267/4885
US-20030083331-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT CA2 4443/4885CA4 4403/4885IMPDH2 4267/4885
US-20030032644-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, PCTP CA2 3853/4885CA4 4138/4885IMPDH2 4596/4885
US-20020165232-A1 Substituted N, N-disubstituted cycloalkyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, PLTP CA2 4517/4885CA4 4584/4885IMPDH2 3149/4885
US-20030125329-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT CA2 4443/4885CA4 4403/4885IMPDH2 4267/4885

“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.