SCHEMBL6254887

SCHEMBL6254887

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NR1I2 O75469 1/20 0.41
PPARA Q07869 6/20 0.41
ALDH1A1 P00352 2/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
LTA4H P09960 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
NR5A1 Q13285 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PSMB1 P20618 1/20 0.38
PSMB5 P28074 1/20 0.38
PSMB2 P49721 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
SCHEMBL6893076 0.94 CYP3A4 (0.46) CYP3A4SMN1; SMN2NR1I2PPARAALDH1A1
SCHEMBL23539171 0.92 PPARA (0.47) CYP3A4SMN1; SMN2PPARAALDH1A1RECQL
SCHEMBL11091498 0.88 L3MBTL1 (0.46) CYP3A4SMN1; SMN2PPARAL3MBTL1LTA4H
SCHEMBL6259760 0.86 SMN1; SMN2 (0.41) CYP3A4SMN1; SMN2PPARAALDH1A1L3MBTL1
SCHEMBL6255661 0.77 HRH3 (0.49) CYP3A4SMN1; SMN2NR1I2PPARAALDH1A1
SCHEMBL14524692 0.77 SMN1; SMN2 (0.47) CYP3A4SMN1; SMN2PPARAALDH1A1L3MBTL1
SCHEMBL21414837 0.75 NQO1 (0.56) SMN1; SMN2ALDH1A1RECQLL3MBTL1LTA4H
SCHEMBL21414840 0.75 PPARA (0.45) SMN1; SMN2PPARAALDH1A1RECQLL3MBTL1
SCHEMBL23539112 0.75 PPARA (0.46) CYP3A4SMN1; SMN2PPARAALDH1A1L3MBTL1
SCHEMBL23539109 0.75 PPARA (0.46) CYP3A4SMN1; SMN2PPARAALDH1A1L3MBTL1

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 7 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
US-20030018013-A1 Ether compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2003-01-23 US 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 CYP3A4 361/4885SMN1; SMN2 2495/4885NR1I2 221/4885
US-20040192771-A1 Ether compounds and compositions for cholesterol management and related uses GPR119, PNLIP, NR1H2 CYP3A4 361/4885SMN1; SMN2 2495/4885NR1I2 221/4885

“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.