SCHEMBL6713035

SCHEMBL6713035

CC(C)(CCCOCCCOCCCC(C)(C)CC(=O)O)CC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.65
CPT2 P23786 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
KDM4E B2RXH2 1/20 0.43
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
HMGCR P04035 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
ADRA1A P35348 1/20 0.39
CYP2C19 P33261 2/20 0.38
HIF1A Q16665 2/20 0.38
TSHR P16473 2/20 0.38
CYP2D6 P10635 1/20 0.38
BHMT Q93088 3/20 0.38
S1PR4 O95977 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31
PPARA Q07869 1/20 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
SCHEMBL6256234 0.94 FFAR1 (0.69) FFAR1CPT2TDP1KDM4ECYP4F2
SCHEMBL6258098 0.92 FFAR1 (0.59) FFAR1CPT2TDP1KDM4ECYP4F2
SCHEMBL5527523 0.90 FFAR1 (0.76) FFAR1CPT2TDP1KDM4ECYP4F2
SCHEMBL3045520 0.85 FFAR1 (0.62) FFAR1CPT2TDP1KDM4ECYP4F2
SCHEMBL3045377 0.83 FFAR1 (0.60) FFAR1CPT2TDP1KDM4ECYP4F2
SCHEMBL13210382 0.83 TDP1 (0.60) FFAR1CPT2TDP1KDM4ECYP4F2
SCHEMBL3042960 0.83 TDP1 (0.60) FFAR1CPT2TDP1KDM4ECYP4F2
SCHEMBL3045517 0.83 TDP1 (0.60) FFAR1CPT2TDP1KDM4ECYP4F2
SCHEMBL3094878 0.82 TDP1 (0.63) FFAR1CPT2TDP1KDM4ECYP4F2
SCHEMBL3039748 0.82 TDP1 (0.63) FFAR1CPT2TDP1KDM4ECYP4F2

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
CN-1894195-A Ether compounds and compositions for cholesterol control and related uses ESPERION THERAPEUTICS INC (US) 2007-01-10 CN 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 FFAR1 103/4885CPT2 71/4885TDP1 1887/4885
US-20040192771-A1 Ether compounds and compositions for cholesterol management and related uses GPR119, PNLIP, NR1H2 FFAR1 103/4885CPT2 71/4885TDP1 1887/4885

“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.