SCHEMBL6258161

SCHEMBL6258161

CC(C)(CCCCOCCCOCCCCC(C)(C)C(=O)O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.53
ACACB O00763 1/20 0.52
ACACA Q13085 1/20 0.52
PPARA Q07869 7/20 0.45
TTR P02766 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C8 P10632 1/20 0.42
CHRM1 P11229 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
ADRA1A P35348 1/20 0.42
PPARG P37231 1/20 0.42
HTR2B P41595 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLCO1B3 Q9NPD5 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CISD1 Q9NZ45 1/20 0.42
SLCO1B1 Q9Y6L6 1/20 0.42
LTB4R Q15722 4/20 0.42
CYP4F2 P78329 3/20 0.40

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
Gemcabene SCHEMBL761631 0.98 ACLY (0.55) ACLYACACBACACAPPARATTR
Gemcabene SCHEMBL528316 0.96 ACLY (0.53) ACLYACACBACACAPPARATTR
SCHEMBL5524941 0.96 ACLY (0.59) ACLYACACBACACAPPARATTR
SCHEMBL5531453 0.96 ACLY (0.59) ACLYACACBACACAPPARATTR
Gemcabene SCHEMBL4184554 0.96 ACLY (0.53) ACLYACACBACACAPPARATTR
SCHEMBL14269711 0.96 ACLY (0.59) ACLYACACBACACAPPARATTR
SCHEMBL6267270 0.94 ACLY (0.52) ACLYACACBACACAPPARATTR
SCHEMBL5521484 0.94 ACLY (0.57) ACLYACACBACACAPPARATTR
SCHEMBL6255729 0.93 PPARA (0.50) ACLYACACBACACAPPARATTR
SCHEMBL13210381 0.92 ACLY (0.50) ACLYACACBACACAPPARATTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005068410-A1 ETHER COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2005-07-28 WO claimed
US-20040192771-A1 Ether compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2004-09-30 US claimed
JP-2004529069-A 2004-09-24 JP claimed
EP-1351916-A2 ETHER COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2003-10-15 EP claimed
US-20030018013-A1 Ether compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2003-01-23 US claimed
WO-2002030863-A2 ETHER COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2002-04-18 WO claimed
CN-1894195-A Ether compounds and compositions for cholesterol control and related uses ESPERION THERAPEUTICS INC (US) 2007-01-10 CN disclosed
WO-2005068410-A1 ETHER COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2005-07-28 WO disclosed
US-6713507-B2 CARDIOVASCULAR DISORDERS; ANTILIPEMIC AGENTS; ALZHEIMER'S DISEASE ESPERION THERAPEUTICS, INC. 2004-03-30 US disclosed
EP-1351916-A2 ETHER COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2003-10-15 EP disclosed
WO-2002030863-A2 ETHER COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2002-04-18 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 (2 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-20030018013-A1 Ether compounds and compositions for cholesterol management and related uses GPR119, PNLIP, NR1H2 ACLY 706/4885ACACB 173/4885ACACA 118/4885
US-20040192771-A1 Ether compounds and compositions for cholesterol management and related uses GPR119, PNLIP, NR1H2 ACLY 706/4885ACACB 173/4885ACACA 118/4885

“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.