SCHEMBL3333245

SCHEMBL3333245

COC(=O)C(C)(C)CCC(=O)c1ccc(C(=O)CCC(C)(C)C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PPARA Q07869 3/20 0.41
PDE4B Q07343 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MMP1 P03956 1/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
APEX1 P27695 1/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ELANE P08246 2/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL3286504 0.93 ALDH1A1 (0.49) ALDH1A1L3MBTL1PDE4BNPC1RAB9A
SCHEMBL3286097 0.88 KMT2A (0.47) ALDH1A1L3MBTL1PPARAPDE4BITGB3
SCHEMBL27600565 0.83 ITGB3 (0.43) ALDH1A1L3MBTL1PPARAPDE4BITGB3
SCHEMBL6156843 0.79 TDP1 (0.53) L3MBTL1PPARAPDE4BNPC1RAB9A
SCHEMBL7951244 0.79 CHRNA1 (0.43) ALDH1A1L3MBTL1NPC1RAB9ALMNA
SCHEMBL8742276 0.79 ALDH1A1 (0.39) ALDH1A1L3MBTL1PDE4BITGB3ITGA2B
SCHEMBL17679314 0.78 ACLY (0.42) ALDH1A1PPARATDP1SMN1; SMN2
SCHEMBL8742275 0.77 ITGB3 (0.40) ALDH1A1L3MBTL1PPARAPDE4BITGB3
SCHEMBL977134 0.76 SLC6A3 (0.40) ALDH1A1L3MBTL1NPC1RAB9ALMNA
SCHEMBL8742260 0.76 ELANE (0.55) ALDH1A1L3MBTL1PPARANPC1RAB9A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20070149615-A9 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES DASSEUX JEAN-LOUIS H 2007-06-28 US 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-20120129930-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, CETP ALDH1A1 2044/4885L3MBTL1 3312/4885PPARA 26/4885
US-20140228439-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 ALDH1A1 2141/4885L3MBTL1 3242/4885PPARA 27/4885
US-20070149615-A9 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 ALDH1A1 2141/4885L3MBTL1 3242/4885PPARA 27/4885
US-20100137444-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 ALDH1A1 2141/4885L3MBTL1 3242/4885PPARA 27/4885

“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.