SCHEMBL3329689

SCHEMBL3329689

CC(C)(CCC(=O)c1ccc(C(=O)CCC(C)(C)OP(=O)(O)O)cc1)OP(=O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B3 P37058 3/20 0.38
NPC1 O15118 4/20 0.38
S1PR1 P21453 3/20 0.38
S1PR3 Q99500 3/20 0.38
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 3/20 0.36
PDE4B Q07343 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR5 Q9H228 1/20 0.36
S1PR2 O95136 1/20 0.35
LPAR2 Q9HBW0 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ABL1 P00519 1/20 0.35
POLB P06746 1/20 0.35
ALPI P09923 1/20 0.35
GAA P10253 1/20 0.35
ALPG P10696 1/20 0.35

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
SCHEMBL8742337 0.95 ALDH1A1 (0.40) L3MBTL1ALDH1A1HSD17B3NPC1S1PR1
SCHEMBL3435578 0.92 ALDH1A1 (0.42) L3MBTL1ALDH1A1HSD17B3NPC1S1PR1
SCHEMBL5362490 0.77 S1PR2 (0.38) L3MBTL1S1PR1S1PR3KMT2AMAPT
SCHEMBL3280156 0.76 SMPD1 (0.36)
SCHEMBL8742238 0.73 S1PR2 (0.36) L3MBTL1S1PR1S1PR3MAPTS1PR4
SCHEMBL3280344 0.73 SMPD1 (0.38) S1PR1S1PR3S1PR4S1PR2
SCHEMBL8742968 0.71 SMPD1 (0.33)
SCHEMBL3279580 0.71 ALDH1A1 (0.51) L3MBTL1ALDH1A1HSD17B3NPC1KMT2A
SCHEMBL3434235 0.71 S1PR2 (0.34) L3MBTL1S1PR1S1PR3MAPTS1PR4
SCHEMBL25410018 0.70 KMT2A (0.50) L3MBTL1ALDH1A1NPC1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8084498-B2 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2011-12-27 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-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-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-7304093-B2 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2007-12-04 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-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
EP-1564200-A1 Ketone compounds and compositions for cholesterol management and related uses Esperion Therapeutics Inc. (US) 2005-08-17 EP 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 L3MBTL1 3312/4885ALDH1A1 2044/4885HSD17B3 72/4885
US-20070155704-A1 Ketone compounds and compositions for cholesterol management and related uses PC, HMGCR, GPR119 L3MBTL1 3242/4885ALDH1A1 2141/4885HSD17B3 75/4885
US-20140228439-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 L3MBTL1 3242/4885ALDH1A1 2141/4885HSD17B3 75/4885
US-20030078239-A1 Ketone compounds and compositions for cholesterol management and related uses PC, HMGCR, GPR119 L3MBTL1 3242/4885ALDH1A1 2141/4885HSD17B3 75/4885
US-20070149615-A9 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 L3MBTL1 3242/4885ALDH1A1 2141/4885HSD17B3 75/4885
US-20100137444-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 L3MBTL1 3242/4885ALDH1A1 2141/4885HSD17B3 75/4885

“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.