SCHEMBL3279646

SCHEMBL3279646

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 1/20 0.43
ACE P12821 1/20 0.42
TBXAS1 P24557 2/20 0.41
EGLN1 Q9GZT9 2/20 0.41
KDM4E B2RXH2 2/20 0.41
KDM6B O15054 1/20 0.41
KDM5C P41229 1/20 0.41
PHF8 Q9UPP1 1/20 0.41
KDM2A Q9Y2K7 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
THRB P10828 1/20 0.40
ESR1 P03372 1/20 0.39
CYP3A4 P08684 1/20 0.39
ESR2 Q92731 1/20 0.39
FFAR1 O14842 1/20 0.39
CPT2 P23786 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL11529406 0.89 NAALAD2 (0.50) NAALAD2TBXAS1EGLN1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL31279551 0.87 NAALAD2 (0.48) NAALAD2TBXAS1EGLN1KDM4EALDH1A1
SCHEMBL3283757 0.86 FFAR1 (0.46) NAALAD2ACETBXAS1EGLN1ALDH1A1
SCHEMBL3281126 0.83 L3MBTL1 (0.39) NAALAD2TBXAS1ALDH1A1KMT2AMEN1
SCHEMBL3280409 0.83 FFAR1 (0.60) NAALAD2ACEEGLN1KDM4EKDM6B
SCHEMBL3280282 0.82 TDP1 (0.54) TBXAS1ALDH1A1KMT2AMEN1ESR1
SCHEMBL8743365 0.82 TBXAS1 (0.35) NAALAD2ACETBXAS1ALDH1A1KMT2A
SCHEMBL1833933 0.80 TDP1 (0.62) NAALAD2TBXAS1ALDH1A1KMT2AMEN1
SCHEMBL1831810 0.80 TDP1 (0.62) NAALAD2TBXAS1ALDH1A1KMT2AMEN1
SCHEMBL31565174 0.80 NAALAD2 (0.43) NAALAD2TBXAS1EGLN1KDM4EALDH1A1

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 38 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
CN-1962596-A Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS INC (US) 2007-05-16 CN claimed
EP-1564200-A1 Ketone compounds and compositions for cholesterol management and related uses Esperion Therapeutics Inc. (US) 2005-08-17 EP claimed
CN-1479712-A Ketone compounds and compositions for cholesterol management and related uses ͨ��ҽ�ƹ�˾ 2004-03-03 CN 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-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-20120129930-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2012-05-24 US disclosed
US-20070149615-A9 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES DASSEUX JEAN-LOUIS H 2007-06-28 US disclosed
CN-1962596-A Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS INC (US) 2007-05-16 CN disclosed
CN-1283610-C Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS INC (US) 2006-11-08 CN 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
WO-2002030860-A9 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS INC (US) 2003-02-20 WO 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 NAALAD2 3800/4885ACE 327/4885TBXAS1 645/4885
US-20140228439-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 NAALAD2 3829/4885ACE 327/4885TBXAS1 673/4885
US-20030078239-A1 Ketone compounds and compositions for cholesterol management and related uses PC, HMGCR, GPR119 NAALAD2 3829/4885ACE 327/4885TBXAS1 673/4885
US-20070149615-A9 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 NAALAD2 3829/4885ACE 327/4885TBXAS1 673/4885

“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.