SCHEMBL6259130

SCHEMBL6259130

CC(C)(CCOCCCOCCC(C)(C)OP(=O)(O)O)OP(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.39
LPAR3 Q9UBY5 5/20 0.31
LPAR1 Q92633 4/20 0.31
LPAR2 Q9HBW0 2/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
S1PR2 O95136 1/20 0.31
S1PR4 O95977 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
LPAR5 Q9H1C0 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
SCHEMBL6259864 0.92 SMPD1 (0.39) SMPD1LPAR3LPAR1LPAR2CYP3A4
SCHEMBL6257928 0.92 SMPD1 (0.37) SMPD1
SCHEMBL6259880 0.90 SMPD1 (0.42) SMPD1LPAR3LPAR1LPAR2CYP3A4
SCHEMBL13095377 0.90 SMPD1 (0.40) SMPD1LPAR3LPAR1LPAR2CYP3A4
SCHEMBL3040690 0.88 SMPD1 (0.43) SMPD1LPAR3LPAR1LPAR2CYP3A4
SCHEMBL3030640 0.88 SMPD1 (0.39) SMPD1LPAR3LPAR1LPAR2CYP3A4
SCHEMBL3030580 0.86 SMPD1 (0.42) SMPD1LPAR3LPAR1LPAR2CYP3A4
SCHEMBL6719162 0.86 SMPD1 (0.34) SMPD1
SCHEMBL6256443 0.85 SMPD1 (0.33) SMPD1
SCHEMBL7161851 0.83 SMPD1 (0.33) SMPD1

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 9 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
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 SMPD1 536/4885LPAR3 744/4885LPAR1 453/4885
US-20040192771-A1 Ether compounds and compositions for cholesterol management and related uses GPR119, PNLIP, NR1H2 SMPD1 536/4885LPAR3 744/4885LPAR1 453/4885

“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.