SCHEMBL3285585

SCHEMBL3285585

CCOC(=O)C(C)(CCCBr)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.44
CHRM2 P08172 4/20 0.43
CHRM1 P11229 4/20 0.43
CHRM3 P20309 4/20 0.43
CHRM4 P08173 2/20 0.43
CHRM5 P08912 1/20 0.43
MMP8 P22894 1/20 0.43
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 3/20 0.40
POLB P06746 3/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
TSHR P16473 2/20 0.40
NFKB1 P19838 1/20 0.40
SCN1A P35498 1/20 0.40
MTOR P42345 1/20 0.40
RAB9A P51151 1/20 0.40
SCN2A Q99250 1/20 0.40

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
SCHEMBL3285623 0.96 PIN1 (0.43) PIN1CHRM2CHRM1CHRM3CHRM4
SCHEMBL3282595 0.94 PIN1 (0.42) PIN1CHRM2CHRM1CHRM3CHRM4
SCHEMBL3279781 0.85 PIN1 (0.44) PIN1CHRM2CHRM1CHRM3CHRM4
SCHEMBL6268742 0.85 PIN1 (0.44) PIN1CHRM2CHRM1CHRM3CHRM4
SCHEMBL28084453 0.84 PIN1 (0.49) PIN1CHRM2CHRM1CHRM3CHRM4
SCHEMBL3279118 0.84 CYP4F2 (0.39) PIN1CYP3A4CYP1A2TSHRRAB9A
SCHEMBL6271042 0.84 CYP4F2 (0.44) PIN1CHRM2CHRM1CHRM3CHRM4
SCHEMBL6350448 0.84 PIN1 (0.43) PIN1CHRM2CHRM1CHRM3CHRM4
SCHEMBL3279889 0.84 PIN1 (0.43) PIN1CHRM2CHRM1CHRM3CHRM4
SCHEMBL22119058 0.84 PIN1 (0.45) PIN1CHRM2CHRM1CHRM3CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975300-B2 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2015-03-10 US disclosed
US-20140228439-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2014-08-14 US disclosed
US-8642653-B2 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2014-02-04 US disclosed
US-20120129930-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2012-05-24 US disclosed
US-8084498-B2 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2011-12-27 US disclosed
US-20100137444-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. 2010-06-03 US disclosed
US-7705177-B2 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPUETICS, INC. (US) 2010-04-27 US disclosed
CN-101426763-A Sulfide and disulfide compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS INC (US) 2009-05-06 CN disclosed
US-7304093-B2 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2007-12-04 US disclosed
US-20070155704-A1 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2007-07-05 US disclosed
US-6703422-B2 FOR THERAPY AND PROPHYLAXIS OF CARDIOVASCULAR DISEASE, DYSLIPIDEMIA; DYSLIPOPROTEINEMIA; DISORDER OF GLUCOSE METABOLISM; ALZHEIMER'S DISEASE; SYNDROME X; PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ASSOCIATED DISORDER ESPERION THERAPEUTICS, INC. 2004-03-09 US disclosed
CN-1479712-A Ketone compounds and compositions for cholesterol management and related uses ͨ��ҽ�ƹ�˾ 2004-03-03 CN disclosed
US-6699910-B2 TREATING AND PREVENTING CARDIOVASCULAR DISEASES, DYSLIPIDEMIAS, AND GLUCOSE METABOLISM AS HYPOGLYCEMIC AGENTS, USE TO REDUCE THE FAT CONTENT OF MEAT IN LIVESTOCK AND REDUCE THE CHOLESTEROL CONTENT OF EGGS ESPERION THERAPEUTICS, INC. 2004-03-02 US disclosed
EP-1363879-A2 SULFIDE AND DISULFIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2003-11-26 EP disclosed
EP-1326822-A2 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2003-07-16 EP disclosed
US-20030078239-A1 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2003-04-24 US disclosed
WO-2002030860-A9 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS INC (US) 2003-02-20 WO disclosed
US-20020077316-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2002-06-20 US disclosed
WO-2002030884-A2 SULFIDE AND DISULFIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2002-04-18 WO disclosed
WO-2002030860-A2 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2002-04-18 WO 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 (6 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-20020077316-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses GSS, IAPP, STS PIN1 1203/4885CHRM2 1368/4885CHRM1 1408/4885
US-20120129930-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, CETP PIN1 1800/4885CHRM2 1263/4885CHRM1 1022/4885
US-20070155704-A1 Ketone compounds and compositions for cholesterol management and related uses PC, HMGCR, GPR119 PIN1 1905/4885CHRM2 1224/4885CHRM1 957/4885
US-20140228439-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 PIN1 1905/4885CHRM2 1224/4885CHRM1 957/4885
US-20030078239-A1 Ketone compounds and compositions for cholesterol management and related uses PC, HMGCR, GPR119 PIN1 1905/4885CHRM2 1224/4885CHRM1 957/4885
US-20100137444-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 PIN1 1905/4885CHRM2 1224/4885CHRM1 957/4885

“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.