SCHEMBL3280370

SCHEMBL3280370

CC(C)(O)CCC(=O)CCC(=O)CCC(C)(C)O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
TSHR P16473 1/20 0.33
ACE P12821 1/20 0.31

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
SCHEMBL3279761 0.89 ALDH1A1 (0.45) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL840557 0.83 ALDH1A1 (0.45) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL14338085 0.78 ALDH1A1 (0.45) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL3279514 0.78 ALDH1A1 (0.45) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL3174218 0.77
SCHEMBL381314 0.77
SCHEMBL8898363 0.75 ALDH1A1 (0.32) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
Water SCHEMBL7586391 0.74 ALDH1A1 (0.47) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL19526005 0.74
SCHEMBL4772800 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7304093-B2 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2007-12-04 US claimed
EP-1564200-A1 Ketone compounds and compositions for cholesterol management and related uses Esperion Therapeutics Inc. (US) 2005-08-17 EP claimed
US-20030078239-A1 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2003-04-24 US 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-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-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-20070155704-A1 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2007-07-05 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
US-20070149615-A9 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES DASSEUX JEAN-LOUIS H 2007-06-28 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-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

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

For each of this compound's patents that has machine-readable text (4 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-20070155704-A1 Ketone compounds and compositions for cholesterol management and related uses PC, HMGCR, GPR119 ALDH1A1 2141/4885HMGCR 2/4885CHRM1 957/4885
US-20140228439-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 ALDH1A1 2141/4885HMGCR 2/4885CHRM1 957/4885
US-20030078239-A1 Ketone compounds and compositions for cholesterol management and related uses PC, HMGCR, GPR119 ALDH1A1 2141/4885HMGCR 2/4885CHRM1 957/4885
US-20070149615-A9 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 ALDH1A1 2141/4885HMGCR 2/4885CHRM1 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.