SCHEMBL1151239

SCHEMBL1151239

O=C(O)C1(CCCC(O)CCCC2(C(=O)O)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
FFAR1 O14842 1/20 0.34
TBXAS1 P24557 2/20 0.33
PTPN1 P18031 1/20 0.33
GPR84 Q9NQS5 4/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 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
SCHEMBL18633532 0.94 FFAR4 (0.39) FFAR4ACACBACACAFFAR1TBXAS1
SCHEMBL186552 0.94 FFAR4 (0.37) CYP2C19FFAR4ACACBACACAFFAR1
SCHEMBL186576 0.92 FFAR4 (0.40) FFAR4ACACBACACAFFAR1TBXAS1
SCHEMBL12138664 0.89 FFAR4 (0.33) FFAR4ACACBACACAFFAR1GPR84
SCHEMBL5903426 0.88 TBXAS1 (0.31) TBXAS1PTPN1
SCHEMBL14106427 0.87 TBXAS1 (0.41) CYP2C19FFAR4ACACBACACAFFAR1
SCHEMBL186819 0.86 CYP2C19 (0.44) CYP2C19FFAR4ACACBACACAFFAR1
SCHEMBL187698 0.86 TBXAS1 (0.40) CYP2C19FFAR4ACACBACACAFFAR1
SCHEMBL1106810 0.85 FFAR4 (0.36) FFAR4ACACBACACAFFAR1TBXAS1
SCHEMBL1151766 0.85 CYP4F2 (0.33) FFAR4ACACBACACAFFAR1CYP4F2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2402300-B1 Hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS INC (US) 2016-05-25 EP claimed
US-9452964-B2 Cycloalkyl-hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2016-09-27 US disclosed
EP-2402300-B1 Hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS INC (US) 2016-05-25 EP disclosed
US-20150344389-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. 2015-12-03 US disclosed
US-9006290-B2 Cycloalkyl-hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2015-04-14 US disclosed
US-20140235723-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2014-08-21 US disclosed
US-8623915-B2 Cycloalkyl-hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2014-01-07 US disclosed
US-20130040916-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2013-02-14 US disclosed
US-8309604-B2 Cycloalkyl-hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2012-11-13 US disclosed
US-20120172337-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2012-07-05 US disclosed
US-8153690-B2 Cycloalkyl-hydroxyl compounds and compositions for cholesterol management ESPERION THERAPEUTICS, INC. (US) 2012-04-10 US disclosed
US-20120035141-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT ESPERION THERAPEUTICS, INC. (US) 2012-02-09 US disclosed
US-8067466-B2 Cycloalkyl-hydroxyl compounds and compositions for cholesterol management ESPERION THERAPEUTICS, INC. (US) 2011-11-29 US disclosed
US-8067466-B2 Cycloalkyl-hydroxyl compounds and compositions for cholesterol management ESPERION THERAPEUTICS, INC. (US) 2011-11-29 US disclosed
US-20080249166-A1 Inhibiting hepatic fatty acid and sterol synthesis; use with statins; compounds such as cyclopropyl or cyclobutyl-functional hydroxy-functional alpha,gamma-alkanediacids ESPERION THERAPEUTICS, INC. (US) 2008-10-09 US disclosed
US-20080249166-A1 Inhibiting hepatic fatty acid and sterol synthesis; use with statins; compounds such as cyclopropyl or cyclobutyl-functional hydroxy-functional alpha,gamma-alkanediacids ESPERION THERAPEUTICS, INC. (US) 2008-10-09 US disclosed
US-7405226-B2 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 PFIZER INC. (US) 2008-07-29 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

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-20120035141-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT PNLIP, NR1H3, NR1H2 CYP2C19 1038/4885FFAR4 241/4885ACACB 269/4885
US-20120172337-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PNLIP, NR1H3, NR1H2 CYP2C19 1033/4885FFAR4 295/4885ACACB 204/4885
US-20140235723-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PNLIP, NR1H3, NR1H2 CYP2C19 1033/4885FFAR4 295/4885ACACB 204/4885
US-20150344389-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PNLIP, NR1H3, NR1H2 CYP2C19 1033/4885FFAR4 295/4885ACACB 204/4885
US-20080249166-A1 Inhibiting hepatic fatty acid and sterol synthesis; use with statins; compounds such as cyclopropyl or cyclobutyl-functional hydroxy-functional alpha,gamma-alkanediacids PNLIP, NR1H3, NR1H2 CYP2C19 600/4885FFAR4 112/4885ACACB 78/4885
US-20130040916-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PNLIP, NR1H3, NR1H2 CYP2C19 1033/4885FFAR4 295/4885ACACB 204/4885

“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.