SCHEMBL3040786

SCHEMBL3040786

CC(C)(CCCCO)CCCCOCCCCC(C)(C)COP(=O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.38
CYP4A11 Q02928 3/20 0.38
LPAR3 Q9UBY5 7/20 0.36
LPAR1 Q92633 6/20 0.36
LPAR2 Q9HBW0 4/20 0.36
LPAR5 Q9H1C0 1/20 0.35
S1PR1 P21453 4/20 0.34
S1PR3 Q99500 4/20 0.34
S1PR4 O95977 2/20 0.34
S1PR5 Q9H228 2/20 0.34
SMPD1 P17405 2/20 0.32
GAA P10253 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
SCHEMBL3040952 1.00 CYP4F2 (0.38) CYP4F2CYP4A11LPAR3LPAR1LPAR2
SCHEMBL3045508 0.98 LPAR3 (0.39) CYP4F2CYP4A11LPAR3LPAR1LPAR2
SCHEMBL3047302 0.94 LPAR3 (0.36) CYP4F2CYP4A11LPAR3LPAR1LPAR2
SCHEMBL3046352 0.92 LPAR3 (0.41) LPAR3LPAR1LPAR2LPAR5S1PR1
SCHEMBL3030971 0.90 LPAR3 (0.46) LPAR3LPAR1LPAR2LPAR5S1PR1
SCHEMBL6256820 0.90 LPAR3 (0.40) LPAR3LPAR1LPAR2LPAR5S1PR1
SCHEMBL13953196 0.90 LPAR3 (0.44) LPAR3LPAR1LPAR2LPAR5S1PR1
SCHEMBL3035081 0.89 LPAR3 (0.44) CYP4F2CYP4A11LPAR3LPAR1LPAR2
SCHEMBL3041253 0.89 LPAR3 (0.49) CYP4F2CYP4A11LPAR3LPAR1LPAR2
SCHEMBL3047120 0.89 LPAR3 (0.41) CYP4F2CYP4A11LPAR3LPAR1LPAR2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256209-A1 COMPOSITIONS COMPRISING ETHER COMPOUNDS AND PHARMACEUTICAL USES THEREFOR ESPERION THERAPEUTICS, INC. 2010-10-07 US claimed
US-7709515-B2 Compositions comprising ether compounds and pharmaceutical uses therefor ESPERION THERAPEUTICS, INC. (US) 2010-05-04 US claimed
EP-1204626-B1 ETHER COMPOUNDS, COMPOSITIONS, AND USES THEREOF ESPERION THERAPEUTICS INC (US) 2008-01-16 EP claimed
EP-1862444-A2 Ether compounds, compositions, and uses thereof Esperion Therapeutics, Inc. (US) 2007-12-05 EP claimed
US-7192940-B2 Ether compounds ESPERION THERAPEUTICS, INC. (US) 2007-03-20 US claimed
US-20050119333-A1 Compositions comprising ether compounds and pharmaceutical uses therefor ESPERION THERAPEUTICS, INC. 2005-06-02 US claimed
US-20050004082-A1 Therapy for cardiovascular, metabolism and cholesterol disorders ESPERION THERAPEUTICS, INC. 2005-01-06 US claimed
US-6831105-B2 For therapy and prophylaxis of cardiovascular diseases, dyslipidemias, dysproteinemias, and glucose metabolism disorders ESPERION THERAPEUTICS, INC. 2004-12-14 US claimed
US-20030149094-A1 Compositions comprising ether compounds and pharmaceutical uses therefor ESPERION THERAPEUTICS, INC. 2003-08-07 US claimed
US-20030065195-A1 Ether compounds ESPERION THERAPEUTICS, INC. 2003-04-03 US claimed
US-6506799-B1 Treating or preventing a cardiovascular disease in a patient, comprising administering to a patient in need of such treatment or prevention a therapeutically effective amount of 6-(6-hydroxy-5,5-dimethylhexyloxy)-2,2-dimethyl-hexan-1-ol and ESPERION THERAPEUTICS, INC. 2003-01-14 US claimed
US-6459003-B1 ETHER COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS, METABOLISM DISORDERS AND CHOLESTEROL DISORDERS ESPERION THERAPEUTICS, INC. 2002-10-01 US claimed
US-20100256209-A1 COMPOSITIONS COMPRISING ETHER COMPOUNDS AND PHARMACEUTICAL USES THEREFOR ESPERION THERAPEUTICS, INC. 2010-10-07 US disclosed
US-20100256209-A1 COMPOSITIONS COMPRISING ETHER COMPOUNDS AND PHARMACEUTICAL USES THEREFOR ESPERION THERAPEUTICS, INC. 2010-10-07 US disclosed
EP-1204626-B1 ETHER COMPOUNDS, COMPOSITIONS, AND USES THEREOF ESPERION THERAPEUTICS INC (US) 2008-01-16 EP disclosed
EP-1862444-A2 Ether compounds, compositions, and uses thereof Esperion Therapeutics, Inc. (US) 2007-12-05 EP disclosed
US-20030065195-A1 Ether compounds ESPERION THERAPEUTICS, INC. 2003-04-03 US disclosed
US-6506799-B1 Treating or preventing a cardiovascular disease in a patient, comprising administering to a patient in need of such treatment or prevention a therapeutically effective amount of 6-(6-hydroxy-5,5-dimethylhexyloxy)-2,2-dimethyl-hexan-1-ol and ESPERION THERAPEUTICS, INC. 2003-01-14 US disclosed
EP-1204626-A1 ETHER COMPOUNDS, COMPOSITIONS, AND USES THEREOF Esperion Therapeutics Inc. (US) 2002-05-15 EP disclosed
WO-2000059855-A1 ETHER COMPOUNDS, COMPOSITIONS, AND USES THEREOF ESPERION THERAPEUTICS, INC. (US) 2000-10-12 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 (5 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-20100256209-A1 COMPOSITIONS COMPRISING ETHER COMPOUNDS AND PHARMACEUTICAL USES THEREFOR GPR119, ECHS1, PNLIP CYP4F2 483/4885CYP4A11 35/4885LPAR3 695/4885
US-20030065195-A1 Ether compounds GPR119, PPARG, PNLIP CYP4F2 715/4885CYP4A11 93/4885LPAR3 708/4885
US-20050004082-A1 Therapy for cardiovascular, metabolism and cholesterol disorders GPR119, NR1H2, PC CYP4F2 527/4885CYP4A11 105/4885LPAR3 555/4885
US-20030149094-A1 Compositions comprising ether compounds and pharmaceutical uses therefor GPR119, ECHS1, PNLIP CYP4F2 483/4885CYP4A11 35/4885LPAR3 695/4885
US-20050119333-A1 Compositions comprising ether compounds and pharmaceutical uses therefor GPR119, ECHS1, PNLIP CYP4F2 483/4885CYP4A11 35/4885LPAR3 695/4885

“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.