SCHEMBL186762

SCHEMBL186762

CCC(C)OC(=O)C(C)(C)CCCCCC(O)CCCC(C)(C)CCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.48
ACACA Q13085 1/20 0.48
FFAR1 O14842 3/20 0.41
FFAR4 Q5NUL3 2/20 0.41
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
GPR84 Q9NQS5 4/20 0.33
TBXAS1 P24557 2/20 0.33
FAAH O00519 2/20 0.33
CPT2 P23786 1/20 0.33
TDP1 Q9NUW8 1/20 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
SCHEMBL186727 0.86 MAPT (0.36) ACACBACACAFFAR1CYP4F2CYP4A11
SCHEMBL186685 0.84 ACACB (0.64) ACACBACACAFFAR1FFAR4CYP4F2
SCHEMBL6180003 0.81 ACACB (0.59) ACACBACACAFFAR1FFAR4GPR84
SCHEMBL7021398 0.79 KMT2A (0.45) FFAR1FFAR4CYP4F2CYP4A11GPR84
SCHEMBL939882 0.79 ACACB (0.72) ACACBACACAFFAR1FFAR4GPR84
SCHEMBL6257317 0.77 ACACB (0.50) ACACBACACACYP4F2CYP4A11TBXAS1
SCHEMBL6254552 0.77 ACACB (0.50) ACACBACACACYP4F2CYP4A11TBXAS1
SCHEMBL19678182 0.76 ACACB (0.53) ACACBACACAFFAR1FFAR4GPR84
SCHEMBL28293184 0.74 ACACB (0.75) ACACBACACAFFAR1FFAR4GPR84
SCHEMBL6198099 0.74 ACACB (0.50) ACACBACACAFFAR1FFAR4GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210395175-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. 2021-12-23 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
US-9624152-B2 Hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2017-04-18 US disclosed
US-20150344388-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. 2015-12-03 US disclosed
US-9000041-B2 Hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2015-04-07 US disclosed
US-20130289117-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2013-10-31 US disclosed
US-8497301-B2 Hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2013-07-30 US disclosed
US-20120225908-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2012-09-06 US disclosed
EP-2402300-A1 Hydroxyl compounds and compositions for cholesterol management and related uses Esperion Therapeutics Inc. (US) 2012-01-04 EP disclosed
US-20110003860-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. 2011-01-06 US disclosed
US-7335799-B2 Hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2008-02-26 US disclosed
US-20050043278-A1 administering to a patient a hydroxy compound to treat aging, Alzheimer's Disease, cancer, cardiovascular disease, diabetic nephropathy, diabetic retinopathy, a disorder of glucose metabolism, dyslipidemia, dyslipoproteinemia, hypertension, impotence, inflammation, septicemia and syndrome X GLAS AMERICAS LLC 2005-02-24 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 (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-20150344388-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES NR1H3, CYP27A1, NR1H2 ACACB 543/4885ACACA 495/4885FFAR1 205/4885
US-20120225908-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES NR1H3, CYP27A1, NR1H2 ACACB 543/4885ACACA 495/4885FFAR1 205/4885
US-20130289117-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES NR1H3, CYP27A1, NR1H2 ACACB 543/4885ACACA 495/4885FFAR1 205/4885
US-20190263742-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES NR1H3, CYP27A1, NR1H2 ACACB 543/4885ACACA 495/4885FFAR1 205/4885
US-20170349516-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES NR1H3, CYP27A1, NR1H2 ACACB 543/4885ACACA 495/4885FFAR1 205/4885
US-20110003860-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES NR1H3, CYP27A1, NR1H2 ACACB 543/4885ACACA 495/4885FFAR1 205/4885
US-20210395175-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES NR1H3, CYP27A1, NR1H2 ACACB 543/4885ACACA 495/4885FFAR1 205/4885
US-10118881-B2 Hydroxyl compounds and compositions for cholesterol management and related uses NR1H3, CYP27A1, NR1H2 ACACB 543/4885ACACA 495/4885FFAR1 205/4885
US-20050043278-A1 administering to a patient a hydroxy compound to treat aging, Alzheimer's Disease, cancer, cardiovascular disease, diabetic nephropathy, diabetic retinopathy, a disorder of glucose metabolism, dyslipidemia, dyslipoproteinemia, hypertension, impotence, inflammation, septicemia and syndrome X PNLIP, NR1H3, CYP27A1 ACACB 220/4885ACACA 202/4885FFAR1 166/4885

“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.