SCHEMBL6254526

SCHEMBL6254526

CC(C)(CCCCOCCOCCCC(C)(C)COP(N)(=O)O)COP(N)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
SMPD1 P17405 2/20 0.33
GRM4 Q14833 1/20 0.32
LPAR3 Q9UBY5 3/20 0.30
LPAR1 Q92633 2/20 0.30
LPAR2 Q9HBW0 2/20 0.30

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
SCHEMBL6256433 0.97 SMPD1 (0.36) CYP3A4TSHRSMPD1GRM4LPAR3
SCHEMBL6802544 0.95 CYP3A4 (0.31) CYP3A4TSHRSMPD1
SCHEMBL6258025 0.94 CYP3A4 (0.33) CYP3A4TSHRGRM4
SCHEMBL6895588 0.92 SMPD1 (0.33) CYP3A4TSHRSMPD1LPAR3LPAR1
SCHEMBL6256378 0.86 GRM4 (0.35) GRM4
SCHEMBL3046352 0.83 LPAR3 (0.41) CYP3A4TSHRSMPD1LPAR3LPAR1
SCHEMBL6899692 0.82 GRM4 (0.32) GRM4
SCHEMBL13953196 0.81 LPAR3 (0.44) SMPD1LPAR3LPAR1LPAR2
SCHEMBL6256820 0.81 LPAR3 (0.40) CYP3A4TSHRSMPD1LPAR3LPAR1
SCHEMBL3044808 0.81 LPAR3 (0.44) SMPD1LPAR3LPAR1LPAR2

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
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
US-20030018013-A1 Ether compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2003-01-23 US claimed
WO-2005068410-A1 ETHER COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2005-07-28 WO 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 CYP3A4 361/4885TSHR 2589/4885SMPD1 536/4885
US-20040192771-A1 Ether compounds and compositions for cholesterol management and related uses GPR119, PNLIP, NR1H2 CYP3A4 361/4885TSHR 2589/4885SMPD1 536/4885

“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.