SCHEMBL6181978

SCHEMBL6181978

COC(=O)C(C)(CCCCCC(O)CCCCCC(C)(C(=O)OC)c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.46
ACACA Q13085 1/20 0.46
KCNN4 O15554 1/20 0.45
TRPA1 O75762 1/20 0.39
PRSS1 P07477 4/20 0.38
CTSG P08311 4/20 0.38
CTRB1 P17538 4/20 0.38
CMA1 P23946 4/20 0.38
TRPV1 Q8NER1 2/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
KIF11 P52732 1/20 0.36
MEN1 O00255 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
KMT2A Q03164 1/20 0.36
SRC P12931 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35

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
SCHEMBL13106393 0.95 ACACB (0.42) ACACBACACAKCNN4TRPA1PRSS1
SCHEMBL12092663 0.87 ACACB (0.36) ACACBACACAKCNN4TRPA1PRSS1
SCHEMBL6180359 0.86 ACACB (0.44) ACACBACACATRPA1PRSS1CTSG
SCHEMBL10264471 0.85 ACACB (0.56) ACACBACACATRPA1TRPV1CNR1
SCHEMBL6181940 0.84 ACACB (0.42) ACACBACACATRPA1TRPV1KMT2A
SCHEMBL4955211 0.84 KCNN4 (0.49) KCNN4PRSS1CTSGCTRB1CMA1
SCHEMBL12094471 0.84 ACACB (0.53) ACACBACACATRPA1TRPV1CNR1
SCHEMBL6181985 0.83 ACACB (0.44) ACACBACACATRPA1PRSS1CTSG
SCHEMBL3283660 0.83 KCNN4 (0.47) KCNN4PRSS1CTSGCTRB1CMA1
SCHEMBL25868904 0.83 ACACB (0.45) ACACBACACATRPA1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7812199-B2 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 ESPERION THERAPEUTICS, INC. (US) 2010-10-12 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-20070179120-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 ESPERION THERAPEUTICS, INC. (US) 2007-08-02 US disclosed
EP-1597223-A2 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2005-11-23 EP 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 (4 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 495/4885KCNN4 3738/4885
US-20130289117-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES NR1H3, CYP27A1, NR1H2 ACACB 543/4885ACACA 495/4885KCNN4 3738/4885
US-20170349516-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES NR1H3, CYP27A1, NR1H2 ACACB 543/4885ACACA 495/4885KCNN4 3738/4885
US-20070179120-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 202/4885KCNN4 4635/4885

“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.