SCHEMBL3030640

SCHEMBL3030640

CC(C)(CCCOCCCC(C)(C)OP(=O)(O)O)OP(=O)(O)O.[NaH]

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.39
GRM4 Q14833 1/20 0.33
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
SCHEMBL13095377 0.98 SMPD1 (0.40) SMPD1GRM4LPAR3LPAR1LPAR2
SCHEMBL6259864 0.96 SMPD1 (0.39) SMPD1GRM4LPAR3LPAR1LPAR2
SCHEMBL3030580 0.94 SMPD1 (0.42) SMPD1GRM4LPAR3LPAR1LPAR2
SCHEMBL3040690 0.92 SMPD1 (0.43) SMPD1GRM4LPAR3LPAR1LPAR2
SCHEMBL6259880 0.90 SMPD1 (0.42) SMPD1GRM4LPAR3LPAR1LPAR2
SCHEMBL6259130 0.88 SMPD1 (0.39) SMPD1LPAR3LPAR1LPAR2CYP3A4
SCHEMBL13322578 0.85 SMPD1 (0.39) SMPD1LPAR3LPAR1LPAR2LPAR5
SCHEMBL3043320 0.84 LPAR3 (0.42) SMPD1LPAR3LPAR1LPAR2LPAR5
SCHEMBL6257928 0.83 SMPD1 (0.37) SMPD1GRM4
SCHEMBL13095381 0.83 SMPD1 (0.53) SMPD1GRM4LPAR3LPAR1S1PR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1862444-A2 Ether compounds, compositions, and uses thereof Esperion Therapeutics, Inc. (US) 2007-12-05 EP claimed
EP-1849760-A1 Ether compounds, compositions, and uses thereof Esperion Therapeutics Inc. (US) 2007-10-31 EP claimed
US-7192940-B2 Ether compounds ESPERION THERAPEUTICS, INC. (US) 2007-03-20 US claimed
US-20050004082-A1 Therapy for cardiovascular, metabolism and cholesterol disorders ESPERION THERAPEUTICS, INC. 2005-01-06 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-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-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
EP-1862444-A2 Ether compounds, compositions, and uses thereof Esperion Therapeutics, Inc. (US) 2007-12-05 EP disclosed
EP-1849760-A1 Ether compounds, compositions, and uses thereof Esperion Therapeutics Inc. (US) 2007-10-31 EP disclosed
US-20070203212-A1 METHOD OF TREATING OSTEOARTHRITIS WARNER-LAMBERT COMPANY (US) 2007-08-30 US disclosed
WO-2004017952-A1 METHOD OF TREATING OSTEOARTHRITIS WARNER-LAMBERT COMPANY LLC (US) 2004-03-04 WO disclosed
US-6646170-B2 Hydroxy derivatives; cardiovascular diseases, dyslipidemias, dysproteinemias, glucose metabolism disorders ESPERION THERAPEUTICS, INC. 2003-11-11 US disclosed
US-20030149094-A1 Compositions comprising ether compounds and pharmaceutical uses therefor ESPERION THERAPEUTICS, INC. 2003-08-07 US disclosed
US-20030125559-A1 Methods for synthesizing ether compounds and intermediates therefor ESPERION THERAPEUTICS, INC. 2003-07-03 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
US-6459003-B1 ETHER COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS, METABOLISM DISORDERS AND CHOLESTEROL DISORDERS ESPERION THERAPEUTICS, INC. 2002-10-01 US disclosed
US-6410802-B1 ETHERIFICATION IN PRESENCE OF BASE ESPERION THERAPEUTICS, INC. 2002-06-25 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 694/4885GRM4 1366/4885LPAR3 695/4885
US-20070203212-A1 METHOD OF TREATING OSTEOARTHRITIS SYVN1, MMP13, TNF SMPD1 4165/4885GRM4 1895/4885LPAR3 200/4885
US-20030125559-A1 Methods for synthesizing ether compounds and intermediates therefor ECHS1, GPR119, PC SMPD1 973/4885GRM4 1610/4885LPAR3 832/4885
US-20030065195-A1 Ether compounds GPR119, PPARG, PNLIP SMPD1 860/4885GRM4 966/4885LPAR3 708/4885
US-20050004082-A1 Therapy for cardiovascular, metabolism and cholesterol disorders GPR119, NR1H2, PC SMPD1 532/4885GRM4 871/4885LPAR3 555/4885
US-20030149094-A1 Compositions comprising ether compounds and pharmaceutical uses therefor GPR119, ECHS1, PNLIP SMPD1 694/4885GRM4 1366/4885LPAR3 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.