SCHEMBL5705657

SCHEMBL5705657

CC1(C)C=C(C=CC2=CC(C)(C)C=C(CCCCC(C)(C)C(=O)O)C2=O)C(=O)C(CCCCC(C)(C)CO)=C1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.34
PPARA Q07869 4/20 0.32
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
LTB4R Q15722 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
SCHEMBL10259177 1.00 ACLY (0.34) ACLYPPARAACACBACACALTB4R
SCHEMBL12056033 0.97 PPARA (0.32) ACLYPPARA
SCHEMBL6206038 0.97 PPARA (0.32) ACLYPPARA
SCHEMBL6205879 0.93 ACLY (0.39) ACLYPPARAACACBACACALTB4R
SCHEMBL10266721 0.93 ACLY (0.39) ACLYPPARAACACBACACALTB4R
SCHEMBL5705812 0.92
SCHEMBL12056027 0.92
SCHEMBL3281077 0.89 ACLY (0.35) ACLYPPARAACACBACACALTB4R
SCHEMBL5705413 0.89 LTB4R (0.36) ACLYPPARAACACBACACALTB4R
SCHEMBL6204262 0.89 ACLY (0.36) ACLYPPARAACACBACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1326822-A2 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2003-07-16 EP claimed
US-20030078239-A1 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2003-04-24 US claimed
WO-2002030860-A9 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS INC (US) 2003-02-20 WO claimed
WO-2002030860-A2 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2002-04-18 WO claimed
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
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 (1 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-20030078239-A1 Ketone compounds and compositions for cholesterol management and related uses PC, HMGCR, GPR119 ACLY 358/4885PPARA 27/4885ACACB 91/4885

“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.