SCHEMBL5533396

SCHEMBL5533396

CC(C)(Cc1cccc(Oc2cccc(CC(C)(C)C(=O)O)c2)c1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.49
PPARG P37231 2/20 0.49
CETP P11597 1/20 0.46
FFAR1 O14842 9/20 0.46
PTGES O14684 1/20 0.45
GNA15 P30679 1/20 0.44
PTGER3 P43115 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
CYP2C9 P11712 1/20 0.43
RAB9A P51151 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
FDFT1 P37268 1/20 0.43

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
SCHEMBL12802274 0.89 CYP1A2 (0.54) PPARAPPARG
SCHEMBL14740848 0.86 CYP1A2 (0.45) PPARAPPARGTDP1POLBHSD17B10
SCHEMBL3976403 0.84 MAOB (0.58) FFAR1RAB9ATSHR
SCHEMBL29368049 0.84 CYP1A2 (0.44) PPARAPPARGTDP1POLBHSD17B10
SCHEMBL6260653 0.81 PPARA (0.54) PPARAPPARGCETPFFAR1TDP1
SCHEMBL11172538 0.81 PPARA (0.51) PPARAPPARGCETPFFAR1NPC1
SCHEMBL692554 0.79 CTBP2 (0.49) TDP1NPC1POLBCYP2C9RAB9A
SCHEMBL20715968 0.79 CYP1A2 (0.41) PPARAPPARGTDP1POLBHSD17B10
SCHEMBL25633562 0.79 BCL2 (0.46) PPARAPPARGTDP1POLBHSD17B10
SCHEMBL20347160 0.79 CETP (0.46) PPARAPPARGCETPFFAR1PTGES

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 16 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
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
US-20070203212-A1 METHOD OF TREATING OSTEOARTHRITIS WARNER-LAMBERT COMPANY (US) 2007-08-30 US disclosed
WO-2005068410-A1 ETHER COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2005-07-28 WO disclosed
EP-1539127-A1 METHOD OF TREATING OSTEOARTHRITIS WARNER-LAMBERT COMPANY LLC (US) 2005-06-15 EP disclosed
US-20040192771-A1 Ether compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2004-09-30 US disclosed
US-6713507-B2 CARDIOVASCULAR DISORDERS; ANTILIPEMIC AGENTS; ALZHEIMER'S DISEASE ESPERION THERAPEUTICS, INC. 2004-03-30 US disclosed
US-20040048910-A1 Dialkyl ether di-substituted with formyl, carboxy acid, ester and/or tetrazole, which are on tertiary carbon atoms, e.g., 6-(5-carboxy-5-methylhexyloxy)-2,2-dimethylhexanoic acid; lupus, connective tissue disease, sepsis, joint pain WARNER-LAMBERT COMPANY 2004-03-11 US disclosed
WO-2004017952-A1 METHOD OF TREATING OSTEOARTHRITIS WARNER-LAMBERT COMPANY LLC (US) 2004-03-04 WO disclosed
EP-1351916-A2 ETHER COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2003-10-15 EP disclosed
US-20030018013-A1 Ether compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2003-01-23 US 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 (4 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 PPARA 19/4885PPARG 10/4885CETP 8/4885
US-20040048910-A1 Dialkyl ether di-substituted with formyl, carboxy acid, ester and/or tetrazole, which are on tertiary carbon atoms, e.g., 6-(5-carboxy-5-methylhexyloxy)-2,2-dimethylhexanoic acid; lupus, connective tissue disease, sepsis, joint pain TLR5, SSB, TLR4 PPARA 273/4885PPARG 168/4885CETP 808/4885
US-20070203212-A1 METHOD OF TREATING OSTEOARTHRITIS SYVN1, MMP13, TNF PPARA 33/4885PPARG 16/4885CETP 722/4885
US-20040192771-A1 Ether compounds and compositions for cholesterol management and related uses GPR119, PNLIP, NR1H2 PPARA 19/4885PPARG 10/4885CETP 8/4885

“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.