SCHEMBL6257248

SCHEMBL6257248

CC(C)(CCOCCCOCCC(C)(C)COP(=O)(O)O)COP(=O)(O)O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 9/20 0.37
LPAR1 Q92633 6/20 0.37
LPAR2 Q9HBW0 5/20 0.37
LPAR5 Q9H1C0 1/20 0.36
S1PR1 P21453 4/20 0.35
S1PR3 Q99500 4/20 0.35
S1PR4 O95977 2/20 0.35
S1PR5 Q9H228 2/20 0.35
TPI1 P60174 1/20 0.34
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
SMPD1 P17405 2/20 0.33
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
CSNK2A3 Q8NEV1 1/20 0.32

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
SCHEMBL6257990 0.92 TPI1 (0.36) LPAR3LPAR1LPAR2LPAR5S1PR1
SCHEMBL6256820 0.91 LPAR3 (0.40) LPAR3LPAR1LPAR2LPAR5S1PR1
SCHEMBL3046352 0.89 LPAR3 (0.41) LPAR3LPAR1LPAR2LPAR5S1PR1
SCHEMBL13953196 0.87 LPAR3 (0.44) LPAR3LPAR1LPAR2LPAR5S1PR1
SCHEMBL3048117 0.86 LPAR3 (0.41) LPAR3LPAR1LPAR2LPAR5S1PR1
SCHEMBL3030971 0.84 LPAR3 (0.46) LPAR3LPAR1LPAR2LPAR5S1PR1
SCHEMBL3044808 0.83 LPAR3 (0.44) LPAR3LPAR1LPAR2LPAR5S1PR1
SCHEMBL3045504 0.83 LPAR3 (0.37) LPAR3LPAR1LPAR2LPAR5S1PR1
SCHEMBL2622473 0.83 LPAR3 (0.37) LPAR3LPAR1LPAR2LPAR5S1PR1
SCHEMBL3040786 0.82 CYP4F2 (0.38) LPAR3LPAR1LPAR2LPAR5S1PR1

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 LPAR3 744/4885LPAR1 453/4885LPAR2 774/4885
US-20040192771-A1 Ether compounds and compositions for cholesterol management and related uses GPR119, PNLIP, NR1H2 LPAR3 744/4885LPAR1 453/4885LPAR2 774/4885

“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.