SCHEMBL185906

SCHEMBL185906

CCC(C)OC(=O)C(C)(C)CCCCC(=O)CCCCC(C)(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
ACLY P53396 1/20 0.39
CYP4F2 P78329 6/20 0.36
CYP4A11 Q02928 6/20 0.36
PPARA Q07869 5/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
TBXAS1 P24557 2/20 0.31
TTR P02766 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C8 P10632 1/20 0.31
CHRM1 P11229 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
ADRA1A P35348 1/20 0.31
PPARG P37231 1/20 0.31
HTR2B P41595 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLCO1B3 Q9NPD5 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
SCHEMBL3279764 0.99 ACACB (0.44) ACACBACACAACLYCYP4F2CYP4A11
SCHEMBL186369 0.99 ACACB (0.44) ACACBACACAACLYCYP4F2CYP4A11
SCHEMBL187114 0.99 ACACB (0.44) ACACBACACAACLYCYP4F2CYP4A11
SCHEMBL6254552 0.91 ACACB (0.50) ACACBACACAACLYCYP4F2CYP4A11
SCHEMBL6257317 0.91 ACACB (0.50) ACACBACACAACLYCYP4F2CYP4A11
SCHEMBL7021398 0.90 KMT2A (0.45) CYP4F2CYP4A11PPARAMAPTKMT2A
SCHEMBL186123 0.89 ACACB (0.40) ACACBACACAACLYCYP4F2CYP4A11
SCHEMBL186685 0.84 ACACB (0.64) ACACBACACAACLYCYP4F2CYP4A11
SCHEMBL186727 0.84 MAPT (0.36) ACACBACACACYP4F2CYP4A11MAPT
SCHEMBL186367 0.82 ACACB (0.45) ACACBACACAACLYCYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070203212-A1 METHOD OF TREATING OSTEOARTHRITIS WARNER-LAMBERT COMPANY (US) 2007-08-30 US claimed
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 claimed
US-20230210800-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS INC (US) 2023-07-06 US disclosed
US-20210395175-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. 2021-12-23 US disclosed
US-10941095-B2 Hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2021-03-09 US disclosed
US-20190263742-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. 2019-08-29 US disclosed
US-10118881-B2 Hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2018-11-06 US disclosed
US-20170349516-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. 2017-12-07 US disclosed
EP-2404890-B1 Hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS INC (US) 2017-07-26 EP disclosed
US-9624152-B2 Hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2017-04-18 US disclosed
EP-1597223-B1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS INC (US) 2017-02-22 EP disclosed
US-20040198814-A1 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2004-10-07 US disclosed
WO-2004067489-A2 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2004-08-12 WO 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
US-6699910-B2 TREATING AND PREVENTING CARDIOVASCULAR DISEASES, DYSLIPIDEMIAS, AND GLUCOSE METABOLISM AS HYPOGLYCEMIC AGENTS, USE TO REDUCE THE FAT CONTENT OF MEAT IN LIVESTOCK AND REDUCE THE CHOLESTEROL CONTENT OF EGGS ESPERION THERAPEUTICS, INC. 2004-03-02 US disclosed
EP-1326822-A2 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2003-07-16 EP disclosed
US-20030078239-A1 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2003-04-24 US disclosed
WO-2002030860-A9 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS INC (US) 2003-02-20 WO disclosed
WO-2002030860-A2 KETONE 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 (10 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-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 ACACB 2221/4885ACACA 1120/4885ACLY 3034/4885
US-20190263742-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES NR1H3, CYP27A1, NR1H2 ACACB 543/4885ACACA 495/4885ACLY 1714/4885
US-20070203212-A1 METHOD OF TREATING OSTEOARTHRITIS SYVN1, MMP13, TNF ACACB 412/4885ACACA 228/4885ACLY 560/4885
US-20170349516-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES NR1H3, CYP27A1, NR1H2 ACACB 543/4885ACACA 495/4885ACLY 1714/4885
US-10941095-B2 Hydroxyl compounds and compositions for cholesterol management and related uses NR1H3, CYP27A1, NR1H2 ACACB 543/4885ACACA 495/4885ACLY 1714/4885
US-20210395175-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES NR1H3, CYP27A1, NR1H2 ACACB 543/4885ACACA 495/4885ACLY 1714/4885
US-20040198814-A1 Ketone compounds and compositions for cholesterol management and related uses PC, HMGCR, GPR119 ACACB 91/4885ACACA 38/4885ACLY 358/4885
US-20230210800-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES CYP27A1, NR1H3, PNLIP ACACB 645/4885ACACA 460/4885ACLY 1534/4885
US-10118881-B2 Hydroxyl compounds and compositions for cholesterol management and related uses NR1H3, CYP27A1, NR1H2 ACACB 543/4885ACACA 495/4885ACLY 1714/4885
US-20030078239-A1 Ketone compounds and compositions for cholesterol management and related uses PC, HMGCR, GPR119 ACACB 91/4885ACACA 38/4885ACLY 358/4885

“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.