SCHEMBL6259760

SCHEMBL6259760

CC(C)(C=O)CCOc1ccc(OCCC(C)(C)CO)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
CYP3A4 P08684 1/20 0.41
PPARA Q07869 8/20 0.38
KDM4E B2RXH2 3/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL6254887 0.86 CYP3A4 (0.46) SMN1; SMN2CYP3A4PPARAKDM4EALDH1A1
SCHEMBL6893076 0.81 CYP3A4 (0.46) SMN1; SMN2CYP3A4PPARAALDH1A1GAA
SCHEMBL11326738 0.80 KCNA3 (0.48) SMN1; SMN2PPARAPOLBALDH1A1
SCHEMBL23539171 0.80 PPARA (0.47) SMN1; SMN2CYP3A4PPARAKMT2AMEN1
SCHEMBL6254532 0.78 PTPN2 (0.37) CYP3A4PPARAKDM4EKMT2APOLB
SCHEMBL6258448 0.76
SCHEMBL6258446 0.76
SCHEMBL11091498 0.75 L3MBTL1 (0.46) SMN1; SMN2CYP3A4PPARAPOLBGAA
SCHEMBL8547015 0.73 ALDH1A1 (0.57) SMN1; SMN2PPARAKDM4EKMT2AMEN1
SCHEMBL23649892 0.71 CYP3A4 (0.51) SMN1; SMN2CYP3A4KDM4EKMT2APOLB

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 10 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
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 SMN1; SMN2 2495/4885CYP3A4 361/4885PPARA 19/4885
US-20040192771-A1 Ether compounds and compositions for cholesterol management and related uses GPR119, PNLIP, NR1H2 SMN1; SMN2 2495/4885CYP3A4 361/4885PPARA 19/4885

“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.