SCHEMBL3040690

SCHEMBL3040690

CC(C)(CCCCOCCCCC(C)(C)OP(=O)(O)O)OP(=O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.43
LPAR3 Q9UBY5 5/20 0.35
LPAR1 Q92633 4/20 0.35
LPAR2 Q9HBW0 2/20 0.35
LPAR5 Q9H1C0 1/20 0.34
GRM4 Q14833 1/20 0.33
FDPS P14324 4/20 0.31
GGPS1 O95749 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
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 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
SCHEMBL3030580 0.98 SMPD1 (0.42) SMPD1LPAR3LPAR1LPAR2LPAR5
SCHEMBL6259880 0.98 SMPD1 (0.42) SMPD1LPAR3LPAR1LPAR2LPAR5
SCHEMBL13095377 0.94 SMPD1 (0.40) SMPD1LPAR3LPAR1LPAR2LPAR5
SCHEMBL13322578 0.93 SMPD1 (0.39) SMPD1LPAR3LPAR1LPAR2LPAR5
SCHEMBL6259864 0.92 SMPD1 (0.39) SMPD1LPAR3LPAR1LPAR2LPAR5
SCHEMBL3030640 0.92 SMPD1 (0.39) SMPD1LPAR3LPAR1LPAR2LPAR5
SCHEMBL3037718 0.90 SMPD1 (0.37) SMPD1LPAR3LPAR1LPAR2S1PR2
SCHEMBL3046363 0.88 SMPD1 (0.36) SMPD1CYP4F2CYP4A11
SCHEMBL3047164 0.88 CYP4F2 (0.38) SMPD1CYP4F2CYP4A11
SCHEMBL5070603 0.88 LPAR3 (0.43) SMPD1LPAR3LPAR1LPAR2LPAR5

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 25 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
US-7709515-B2 Compositions comprising ether compounds and pharmaceutical uses therefor ESPERION THERAPEUTICS, INC. (US) 2010-05-04 US disclosed
EP-1204626-B1 ETHER COMPOUNDS, COMPOSITIONS, AND USES THEREOF ESPERION THERAPEUTICS INC (US) 2008-01-16 EP disclosed
US-6790953-B2 CARDIOVASCULAR DISORDERS, ANTIDIABETIC AGENTS, ALZHEIMER'S DISEASES, ANTIINFLAMMATOY AGENTS, ANTICANCER AGENTS ESPERION THERAPEUTICS, INC. 2004-09-14 US disclosed
US-20030125559-A1 Methods for synthesizing ether compounds and intermediates therefor ESPERION THERAPEUTICS, INC. 2003-07-03 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 SMPD1 694/4885LPAR3 695/4885LPAR1 525/4885
US-20030125559-A1 Methods for synthesizing ether compounds and intermediates therefor ECHS1, GPR119, PC SMPD1 973/4885LPAR3 832/4885LPAR1 599/4885
US-20030065195-A1 Ether compounds GPR119, PPARG, PNLIP SMPD1 860/4885LPAR3 708/4885LPAR1 543/4885
US-20050004082-A1 Therapy for cardiovascular, metabolism and cholesterol disorders GPR119, NR1H2, PC SMPD1 532/4885LPAR3 555/4885LPAR1 344/4885
US-20030149094-A1 Compositions comprising ether compounds and pharmaceutical uses therefor GPR119, ECHS1, PNLIP SMPD1 694/4885LPAR3 695/4885LPAR1 525/4885
US-20050119333-A1 Compositions comprising ether compounds and pharmaceutical uses therefor GPR119, ECHS1, PNLIP SMPD1 694/4885LPAR3 695/4885LPAR1 525/4885

“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.