SCHEMBL6256591

SCHEMBL6256591

O=C1CC(CCCOCCCOCCCC2CC(=O)O2)O1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.42
PPARG P37231 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
SIRT2 Q8IXJ6 6/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 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
SCHEMBL6256457 0.96 CYP1A2 (0.40) CYP1A2PPARGSMN1; SMN2SIRT2MEN1
SCHEMBL6256371 0.94 CYP1A2 (0.44) CYP1A2PPARGSMN1; SMN2SIRT2TSHR
SCHEMBL14420774 0.82 CYP1A2 (0.45) CYP1A2PPARGSMN1; SMN2SIRT2
SCHEMBL12903299 0.82 CYP1A2 (0.50) CYP1A2PPARGSMN1; SMN2SIRT2
SCHEMBL6258596 0.80 CYP1A2 (0.61) CYP1A2PPARGMEN1KMT2A
SCHEMBL20617443 0.79 CYP1A2 (0.35) CYP1A2PPARGSMN1; SMN2SIRT2
SCHEMBL6714508 0.77 CYP1A2 (0.57) CYP1A2PPARGMEN1KMT2A
SCHEMBL20617444 0.76 LMNA (0.38) CYP1A2PPARGTSHR
SCHEMBL7164397 0.76
SCHEMBL8159611 0.76

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 8 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

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 367/4885PPARG 10/4885SMN1; SMN2 2495/4885
US-20040192771-A1 Ether compounds and compositions for cholesterol management and related uses GPR119, PNLIP, NR1H2 CYP1A2 367/4885PPARG 10/4885SMN1; SMN2 2495/4885

“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.