SCHEMBL187002

SCHEMBL187002

CC(C)(CCCCCC(=O)CCCCCC1(C(=O)O)CC1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.44
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
TBXAS1 P24557 4/20 0.35
CYP4F2 P78329 3/20 0.33
CYP4A11 Q02928 3/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
FFAR1 O14842 1/20 0.30
CPT2 P23786 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL186491 0.98 ACLY (0.41) ACLYACACBACACATBXAS1CYP4F2
SCHEMBL3280690 0.93 ACLY (0.39) ACLYACACBACACATBXAS1CYP4F2
SCHEMBL773091 0.92 ACLY (0.50) ACLYACACBACACATBXAS1CYP4F2
SCHEMBL16375050 0.90 ACLY (0.42) ACLYACACBACACATBXAS1CYP4F2
SCHEMBL16375052 0.88 ACLY (0.40) ACLYACACBACACATBXAS1CYP4F2
SCHEMBL26017264 0.84 ACLY (0.42) ACLYACACBACACATBXAS1CYP4F2
SCHEMBL26017278 0.84 ACLY (0.42) ACLYACACBACACATBXAS1CYP4F2
SCHEMBL26017260 0.84 ACLY (0.42) ACLYACACBACACATBXAS1CYP4F2
SCHEMBL26017274 0.84 ACLY (0.42) ACLYACACBACACATBXAS1CYP4F2
SCHEMBL26017269 0.84 ACLY (0.42) ACLYACACBACACATBXAS1CYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1701931-B1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS INC (US) 2018-10-10 EP claimed
US-8642653-B2 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2014-02-04 US claimed
US-20120129930-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2012-05-24 US claimed
US-8084498-B2 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2011-12-27 US claimed
US-7705177-B2 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPUETICS, INC. (US) 2010-04-27 US claimed
US-20200189999-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS INC (US) 2020-06-18 US disclosed
US-20190084908-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS INC (US) 2019-03-21 US disclosed
EP-1701931-B1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS INC (US) 2018-10-10 EP disclosed
US-20170073286-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. 2017-03-16 US disclosed
US-20170073286-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. 2017-03-16 US disclosed
US-20170073286-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. 2017-03-16 US disclosed
US-9452964-B2 Cycloalkyl-hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2016-09-27 US disclosed
US-20060229281-A1 e.g. ethyl 11-[1-(t-butoxycarbonyl)cyclopropyl]-2,2-dimethyl-7-oxoundecanoate; peroxisome proliferator activated receptor antagonist; cholesterol reducing, anticarcinogenic, antiinflammatory agent; aging, Alzheimer's Disease, cardiovascular disease, diabetic retinopathy, dyslipidemia, insulin resistance ESPERION THERAPEUTIC, INC. 2006-10-12 US disclosed
US-7119221-B2 treating and preventing a variety of diseases and conditions such as aging, Alzheimer's Disease, cancer, cardiovascular disease, diabetic retinopathy, dyslipidemia, dyslipoproteinemia, hypertension, impotence, insulin resistance, peroxisome proliferator activated receptor associated disorders ESPERION THERAPEUTICS, INC. (US) 2006-10-10 US disclosed
EP-1701931-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics, Inc. (US) 2006-09-20 EP disclosed
EP-1597223-A2 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2005-11-23 EP disclosed
WO-2005068412-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2005-07-28 WO disclosed
US-20040209847-A1 treating and preventing a variety of diseases and conditions such as aging, Alzheimer's Disease, cancer, cardiovascular disease, diabetic retinopathy, dyslipidemia, dyslipoproteinemia, hypertension, impotence, insulin resistance, peroxisome proliferator activated receptor associated disorders ESPERION THERAPEUTICS, INC. 2004-10-21 US 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

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

For each of this compound's patents that has machine-readable text (7 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-20120129930-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, CETP ACLY 314/4885ACACB 78/4885ACACA 27/4885
US-20190084908-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PNLIP, NR1H3, NR1H2 ACLY 1118/4885ACACB 204/4885ACACA 158/4885
US-20040209847-A1 treating and preventing a variety of diseases and conditions such as aging, Alzheimer's Disease, cancer, cardiovascular disease, diabetic retinopathy, dyslipidemia, dyslipoproteinemia, hypertension, impotence, insulin resistance, peroxisome proliferator activated receptor associated disorders PNLIP, APOL1, NR1H3 ACLY 904/4885ACACB 238/4885ACACA 185/4885
US-20040198814-A1 Ketone compounds and compositions for cholesterol management and related uses PC, HMGCR, GPR119 ACLY 358/4885ACACB 91/4885ACACA 38/4885
US-20200189999-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PNLIP, NR1H3, NR1H2 ACLY 1118/4885ACACB 204/4885ACACA 158/4885
US-20060229281-A1 e.g. ethyl 11-[1-(t-butoxycarbonyl)cyclopropyl]-2,2-dimethyl-7-oxoundecanoate; peroxisome proliferator activated receptor antagonist; cholesterol reducing, anticarcinogenic, antiinflammatory agent; aging, Alzheimer's Disease, cardiovascular disease, diabetic retinopathy, dyslipidemia, insulin resistance PNLIP, CYP27A1, GPR119 ACLY 1874/4885ACACB 315/4885ACACA 280/4885
US-20170073286-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PNLIP, NR1H3, NR1H2 ACLY 1118/4885ACACB 204/4885ACACA 158/4885

“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.