SCHEMBL3279344

SCHEMBL3279344

CC(C)c1cccc(CO)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MDM4 O15151 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
TYR P14679 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
CA5A P35218 1/20 0.47
HTT P42858 1/20 0.47
MDM2 Q00987 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA9 Q16790 1/20 0.47
HDAC2 Q92769 1/20 0.47

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
SCHEMBL11888529 0.87 ENPP2 (0.45) ENPP2GABRA1GABRG2GABRB3PRSS1
SCHEMBL19759679 0.85 ENPP2 (0.44) ENPP2GABRA1GABRG2GABRB3PRSS1
SCHEMBL5375384 0.85 MEN1 (0.44) KDM4EENPP2GABRA1GABRG2GABRB3
SCHEMBL2353984 0.84 PTGS1 (0.47) KDM4EALDH1A1SMN1; SMN2TSHR
SCHEMBL23343765 0.83 ENPP2 (0.42) ENPP2GABRA1GABRG2GABRB3PRSS1
SCHEMBL25943517 0.83 PRKCI (0.43) ENPP2GABRA1GABRG2GABRB3PRSS1
SCHEMBL209048 0.83 PRSS1 (0.44) ENPP2PRSS1PRSS2PRSS3TSHR
SCHEMBL18765742 0.83 PRSS1 (0.44) ENPP2PRSS1PRSS2PRSS3TSHR
SCHEMBL16952892 0.83 ENPP2 (0.42) ENPP2GABRA1GABRG2GABRB3PRSS1
SCHEMBL1241139 0.83 TDP1 (0.46) HDAC4HDAC8KDM4EMDM4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107722146-B Method for producing solid polyaluminoxane composition 三井化学株式会社 2021-02-26 CN claimed
WO-2009053709-A1 PROCESS FOR THE PREPARATION OF MEDETOMIDINE NORBROOK LABORATORIES LIMITED (GB) 2009-04-30 WO claimed
EP-1115693-B9 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO CO (US) 2007-12-19 EP claimed
EP-1115693-B1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO CO (US) 2007-05-02 EP claimed
US-6861561-B2 Substituted aromatic policyclic tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G. D. SEARLE & CO. (US) 2005-03-01 US claimed
US-6787570-B2 ADMINISTERING AN AROMATIC OR HETEROAROMATIC SUBSTITUTED TERTIARYAMINE COMPOUND TO TREAT ATHEROSCLEROSIS, DYSLIPIDEMIA, AND OTHER CORONARY ARTERY DISEASES PFIZER, INC. 2004-09-07 US claimed
US-20030225088-A1 Substituted aromatic policyclic tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-12-04 US claimed
US-20030191306-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-10-09 US claimed
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-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
US-20020032174-A1 Polycyclic aryl and heteroaryl substituted 4-pyridones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2002-03-14 US claimed
US-20010018446-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2001-08-30 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
EP-1115695-A1 (R)-CHIRAL HALOGENATED 1-SUBSTITUTEDAMINO-(N+1)-ALKANOLS USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP claimed
EP-1115694-A1 SUBSTITUTED N-ALIPHATIC-N-AROMATIC (TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP claimed
WO-2000018723-A1 SUBSTITUTED N-ALIPHATIC-N-AROMATIC TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO claimed
WO-2000018724-A1 (R)-CHIRAL HALOGENATED 1-SUBSTITUTEDAMINO-(n+1)-ALKANOLS USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO 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

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

For each of this compound's patents that has machine-readable text (8 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-20030125328-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT HDAC4 2294/4885HDAC8 2094/4885KDM4E 2831/4885
US-20030191306-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, MTTP HDAC4 3224/4885HDAC8 3254/4885KDM4E 3144/4885
US-20010018446-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, MTTP HDAC4 3224/4885HDAC8 3254/4885KDM4E 3144/4885
US-20020165231-A1 Substituted N-heteroaryl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, LCAT, MTTP HDAC4 3014/4885HDAC8 2486/4885KDM4E 3107/4885
US-20030225088-A1 Substituted aromatic policyclic tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, PCTP, MTTP HDAC4 3376/4885HDAC8 3444/4885KDM4E 1683/4885
US-20020165232-A1 Substituted N, N-disubstituted cycloalkyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, PLTP HDAC4 3358/4885HDAC8 2939/4885KDM4E 3603/4885
US-20030125329-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT HDAC4 2294/4885HDAC8 2094/4885KDM4E 2831/4885
US-20020032174-A1 Polycyclic aryl and heteroaryl substituted 4-pyridones useful for selective inhibition of the coagulation cascade TFPI, PLAT, TFPI2 HDAC4 959/4885HDAC8 1730/4885KDM4E 1537/4885

“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.