SCHEMBL3279954

SCHEMBL3279954

CC(C)(CCCC(=O)CCCC(=O)CCCC(C)(C)COP(N)(=O)O)COP(N)(=O)O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.32
SMPD1 P17405 2/20 0.30

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
SCHEMBL3280372 0.94 GRM4 (0.31) GRM4
SCHEMBL8742727 0.93 GRM4 (0.32) GRM4SMPD1
SCHEMBL3281014 0.90
SCHEMBL3333525 0.88
SCHEMBL3279503 0.86 FFAR1 (0.34) GRM4SMPD1
SCHEMBL3279884 0.86 GRM4 (0.34) GRM4
SCHEMBL7032377 0.84
SCHEMBL3278911 0.83 P2RY10 (0.31) SMPD1
SCHEMBL7173545 0.82 GRM4 (0.32) GRM4
SCHEMBL8743769 0.82 LPAR3 (0.33) SMPD1

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 15 patents. 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-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 GRM4 1721/4885SMPD1 1536/4885
US-20070155704-A1 Ketone compounds and compositions for cholesterol management and related uses PC, HMGCR, GPR119 GRM4 1744/4885SMPD1 1298/4885
US-20140228439-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 GRM4 1744/4885SMPD1 1298/4885
US-20030078239-A1 Ketone compounds and compositions for cholesterol management and related uses PC, HMGCR, GPR119 GRM4 1744/4885SMPD1 1298/4885
US-20070149615-A9 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 GRM4 1744/4885SMPD1 1298/4885
US-20100137444-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 GRM4 1744/4885SMPD1 1298/4885

“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.