SCHEMBL3283776

SCHEMBL3283776

CC(C)(CCCO)CCCCC(=O)CCCCC(C)(C)CCCO

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CPT2 P23786 1/20 0.41
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
GPR84 Q9NQS5 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.33
CAMK2A Q9UQM7 1/20 0.33
TBXAS1 P24557 2/20 0.33
ARG2 P78540 1/20 0.32
ALDH1A1 P00352 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32

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
SCHEMBL3286705 0.98 FFAR1 (0.45) FFAR1TDP1CPT2CYP4F2CYP4A11
SCHEMBL12056016 0.94 CYP4F2 (0.38) FFAR1TDP1CPT2CYP4F2CYP4A11
SCHEMBL13387743 0.93 CYP4F2 (0.38) FFAR1TDP1CPT2CYP4F2CYP4A11
SCHEMBL3279853 0.91 FFAR1 (0.41) FFAR1TDP1CPT2CYP4F2CYP4A11
SCHEMBL3280625 0.90 CYP4F2 (0.40) FFAR1TDP1CPT2CYP4F2CYP4A11
SCHEMBL3278697 0.90 GPR84 (0.48) FFAR1TDP1CPT2CYP4F2CYP4A11
SCHEMBL14490881 0.89 FFAR1 (0.45) FFAR1TDP1CPT2CYP4F2CYP4A11
SCHEMBL3279908 0.89 FFAR1 (0.45) FFAR1TDP1CPT2CYP4F2CYP4A11
SCHEMBL3281071 0.89 GPR84 (0.52) FFAR1TDP1CPT2CYP4F2CYP4A11
SCHEMBL3280736 0.86 CYP4F2 (0.37) FFAR1TDP1CPT2CYP4F2CYP4A11

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 16 patents. 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
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
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
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-20070149615-A9 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES DASSEUX JEAN-LOUIS H 2007-06-28 US disclosed
EP-1564200-A1 Ketone compounds and compositions for cholesterol management and related uses Esperion Therapeutics Inc. (US) 2005-08-17 EP 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

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-20120129930-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, CETP FFAR1 137/4885TDP1 2037/4885CPT2 88/4885
US-20070155704-A1 Ketone compounds and compositions for cholesterol management and related uses PC, HMGCR, GPR119 FFAR1 126/4885TDP1 1892/4885CPT2 102/4885
US-20140228439-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 FFAR1 126/4885TDP1 1892/4885CPT2 102/4885
US-20030078239-A1 Ketone compounds and compositions for cholesterol management and related uses PC, HMGCR, GPR119 FFAR1 126/4885TDP1 1892/4885CPT2 102/4885
US-20070149615-A9 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 FFAR1 126/4885TDP1 1892/4885CPT2 102/4885
US-20100137444-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 FFAR1 126/4885TDP1 1892/4885CPT2 102/4885

“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.