SCHEMBL186737

SCHEMBL186737

O=C(CCCCC1(C(=O)O)CCCC1)CCCCC1(C(=O)O)CCCC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.47
TBXAS1 P24557 2/20 0.45
CYP4F2 P78329 7/20 0.41
CYP4A11 Q02928 7/20 0.41
MME P08473 2/20 0.35
CETP P11597 3/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
CPB2 Q96IY4 3/20 0.33

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
SCHEMBL187234 0.98 TBXAS1 (0.48) CYP2C19TBXAS1CYP4F2CYP4A11MME
SCHEMBL187310 0.96 TBXAS1 (0.42) CYP2C19TBXAS1CYP4F2CYP4A11MME
SCHEMBL20402753 0.93 KMT2A (0.46) CYP2C19TBXAS1CYP4F2CYP4A11MAPT
SCHEMBL187206 0.91 TBXAS1 (0.37) CYP2C19TBXAS1CYP4F2CYP4A11MAPT
SCHEMBL16375047 0.91 TBXAS1 (0.40) CYP2C19TBXAS1CYP4F2CYP4A11MME
SCHEMBL16375054 0.89 TBXAS1 (0.43) CYP2C19TBXAS1CYP4F2CYP4A11CETP
SCHEMBL3280065 0.89 TBXAS1 (0.40) CYP2C19TBXAS1CYP4F2CYP4A11MAPT
SCHEMBL9181319 0.89 CYP2C19 (0.56) CYP2C19TBXAS1CYP4F2CYP4A11MME
SCHEMBL250369 0.88 CYP2C19 (0.52) CYP2C19TBXAS1CYP4F2CYP4A11KMT2A
SCHEMBL16375053 0.87 TBXAS1 (0.38) CYP2C19TBXAS1CYP4F2CYP4A11CETP

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 76 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-10709678-B2 Methods of reducing risk of cardiovascular disease NEUROBO PHARMACEUTICALS, INC. (US) 2020-07-14 US disclosed
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
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-10028926-B2 Methods of reducing risk of cardiovascular disease GEMPHIRE THERAPEUTICS INC. (US) 2018-07-24 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-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 (9 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 CYP2C19 431/4885TBXAS1 645/4885CYP4F2 999/4885
US-20190084908-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PNLIP, NR1H3, NR1H2 CYP2C19 1033/4885TBXAS1 456/4885CYP4F2 2014/4885
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 CYP2C19 1278/4885TBXAS1 418/4885CYP4F2 2326/4885
US-20040198814-A1 Ketone compounds and compositions for cholesterol management and related uses PC, HMGCR, GPR119 CYP2C19 485/4885TBXAS1 673/4885CYP4F2 1045/4885
US-20200189999-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PNLIP, NR1H3, NR1H2 CYP2C19 1033/4885TBXAS1 456/4885CYP4F2 2014/4885
US-10028926-B2 Methods of reducing risk of cardiovascular disease HMGCR, LDLR, PCSK9 CYP2C19 549/4885TBXAS1 1703/4885CYP4F2 888/4885
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 CYP2C19 1035/4885TBXAS1 301/4885CYP4F2 1797/4885
US-10709678-B2 Methods of reducing risk of cardiovascular disease HMGCR, PCSK9, LDLR CYP2C19 537/4885TBXAS1 1649/4885CYP4F2 903/4885
US-20170073286-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PNLIP, NR1H3, NR1H2 CYP2C19 1033/4885TBXAS1 456/4885CYP4F2 2014/4885

“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.