SCHEMBL6714508

SCHEMBL6714508

O=C1CCC(CCCOCCCOCCC2CCC(=O)O2)O1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.57
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARG P37231 1/20 0.34
PRKCA P17252 3/20 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
SCHEMBL6258596 0.96 CYP1A2 (0.61) CYP1A2CA1CA9MEN1KMT2A
SCHEMBL6257383 0.91 CYP1A2 (0.64) CYP1A2CA1CA9PPARG
SCHEMBL6256457 0.81 CYP1A2 (0.40) CYP1A2MEN1KMT2APPARG
SCHEMBL6261823 0.81 CYP1A2 (0.51) CYP1A2CA1CA9PPARG
SCHEMBL6256591 0.77 CYP1A2 (0.42) CYP1A2MEN1KMT2APPARG
SCHEMBL864461 0.76 CYP1A2 (0.62) CYP1A2CA1CA9PPARGPRKCA
SCHEMBL2077469 0.76 CYP1A2 (0.86) CYP1A2CA1CA9PPARGPRKCA
SCHEMBL16588256 0.76 CYP1A2 (0.62) CYP1A2CA1CA9PPARG
SCHEMBL111822 0.76 CYP1A2 (0.86) CYP1A2CA1CA9PPARGPRKCA
SCHEMBL10158367 0.76 CYP1A2 (0.62) CYP1A2CA1CA9PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-6713507-B2 CARDIOVASCULAR DISORDERS; ANTILIPEMIC AGENTS; ALZHEIMER'S DISEASE ESPERION THERAPEUTICS, INC. 2004-03-30 US 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 CYP1A2 367/4885CA1 2993/4885CA9 1888/4885
US-20040192771-A1 Ether compounds and compositions for cholesterol management and related uses GPR119, PNLIP, NR1H2 CYP1A2 367/4885CA1 2993/4885CA9 1888/4885

“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.