SCHEMBL3279710

SCHEMBL3279710

CC(CCCCCC(=O)CCCCCC(C)(C(=O)O)c1ccccc1)(C(=O)O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
MAPT P10636 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 3/20 0.38
HDAC1 Q13547 7/20 0.37
HDAC3 O15379 6/20 0.37
HDAC4 P56524 6/20 0.37
HDAC7 Q8WUI4 6/20 0.37
HDAC2 Q92769 6/20 0.37
HDAC10 Q969S8 6/20 0.37
HDAC11 Q96DB2 6/20 0.37
HDAC8 Q9BY41 6/20 0.37
HDAC6 Q9UBN7 6/20 0.37
HDAC9 Q9UKV0 6/20 0.37
HDAC5 Q9UQL6 6/20 0.37
CYP1A2 P05177 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL3279812 0.98 CYP2C19 (0.42) CYP2C19HIF1AMAPTL3MBTL1LMNA
SCHEMBL3278389 0.93 CYP2C19 (0.43) CYP2C19HIF1AMAPTLMNAKMT2A
SCHEMBL3281050 0.90 CYP2C19 (0.41) CYP2C19HIF1AMAPTL3MBTL1LMNA
Cyanamide SCHEMBL6207357 0.90 MAPT (0.37) CYP2C19HIF1AMAPTLMNAKMT2A
SCHEMBL27628142 0.89 CYP2C19 (0.43) CYP2C19HIF1AMAPTKMT2AHDAC1
SCHEMBL3286984 0.88 CYP2C19 (0.41) CYP2C19HIF1AMAPTL3MBTL1LMNA
SCHEMBL3283665 0.88 PIN1 (0.40) MAPTKMT2ACYP3A4CYP2D6MEN1
SCHEMBL10258637 0.87 CES1 (0.35) CYP2C19HIF1AMAPTLMNAKMT2A
SCHEMBL3280232 0.86 L3MBTL1 (0.43) CYP2C19HIF1AMAPTL3MBTL1LMNA
SCHEMBL8744685 0.85 CYP2C19 (0.31) CYP2C19HIF1ACYP3A4CYP2C9KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1564200-A1 Ketone compounds and compositions for cholesterol management and related uses Esperion Therapeutics Inc. (US) 2005-08-17 EP claimed
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 claimed
EP-1326822-A2 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2003-07-16 EP claimed
US-20030078239-A1 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2003-04-24 US claimed
WO-2002030860-A9 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS INC (US) 2003-02-20 WO claimed
WO-2002030860-A2 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2002-04-18 WO claimed
US-8975300-B2 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2015-03-10 US disclosed
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-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-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
EP-1701931-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics, Inc. (US) 2006-09-20 EP disclosed
EP-1564200-A1 Ketone compounds and compositions for cholesterol management and related uses Esperion Therapeutics Inc. (US) 2005-08-17 EP disclosed
WO-2005068412-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2005-07-28 WO 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-1326822-A2 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2003-07-16 EP disclosed
WO-2002030860-A9 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS INC (US) 2003-02-20 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 (3 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-20120129930-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, CETP CYP2C19 431/4885HIF1A 776/4885MAPT 368/4885
US-20140228439-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 CYP2C19 485/4885HIF1A 927/4885MAPT 391/4885
US-20030078239-A1 Ketone compounds and compositions for cholesterol management and related uses PC, HMGCR, GPR119 CYP2C19 485/4885HIF1A 927/4885MAPT 391/4885

“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.