SCHEMBL6271973

SCHEMBL6271973

O=C1CC(CCCCOCCCOCCCCC2COC(=O)C2)CO1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
CHRM5 P08912 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
TSHR P16473 1/20 0.31
EPHX1 P07099 1/20 0.31
NAAA Q02083 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
SCHEMBL6259231 0.95 CYP1A2 (0.46) CYP1A2CHRM5CHRM2CHRM4CHRM1
SCHEMBL6719637 0.91 CYP1A2 (0.44) CYP1A2CHRM5CHRM2CHRM4CHRM1
SCHEMBL6255680 0.86 CYP1A2 (0.67) CYP1A2NAAA
SCHEMBL6254927 0.84 CYP1A2 (0.37) CYP1A2TSHREPHX1
SCHEMBL28237732 0.78 CYP1A2 (0.71) CYP1A2CHRM5CHRM2CHRM4CHRM1
SCHEMBL8710704 0.78 CYP1A2 (0.71) CYP1A2CHRM5CHRM2CHRM4CHRM1
SCHEMBL28238797 0.78 CYP1A2 (0.71) CYP1A2CHRM5CHRM2CHRM4CHRM1
SCHEMBL664978 0.76 CYP1A2 (0.69) CYP1A2CHRM5CHRM2CHRM4CHRM1
SCHEMBL6662416 0.76 CYP1A2 (0.69) CYP1A2CHRM5CHRM2CHRM4CHRM1
SCHEMBL28296028 0.76 CYP1A2 (0.69) CYP1A2CHRM5CHRM2CHRM4CHRM1

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
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 367/4885CHRM5 723/4885CHRM2 1236/4885
US-20040192771-A1 Ether compounds and compositions for cholesterol management and related uses GPR119, PNLIP, NR1H2 CYP1A2 367/4885CHRM5 723/4885CHRM2 1236/4885

“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.