SCHEMBL12945239

SCHEMBL12945239

CC(C)(CCCCCC(O)CCCCCC(C)(C)S(=O)(=O)O)S(=O)(=O)O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.53
ACACA Q13085 1/20 0.53
FFAR4 Q5NUL3 1/20 0.36
FFAR1 O14842 1/20 0.36
GPR84 Q9NQS5 5/20 0.34
PSMD14 O00487 1/20 0.33
PLA2G1B P04054 1/20 0.33
MMP2 P08253 1/20 0.33
RAD52 P43351 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
NFKB1 P19838 1/20 0.32
TP53 P04637 1/20 0.31
FAAH O00519 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
SCHEMBL6179615 0.98 ACACB (0.50) ACACBACACAFFAR4FFAR1GPR84
SCHEMBL12092644 0.93 ACACB (0.47) ACACBACACAFFAR4FFAR1GPR84
SCHEMBL6181043 0.92 ACACB (0.42) ACACBACACAFFAR4FFAR1
SCHEMBL12092647 0.91 ACACB (0.44) ACACBACACAFFAR4FFAR1TP53
SCHEMBL6181280 0.86 ACACB (0.41) ACACBACACA
SCHEMBL6199247 0.83 ACACB (0.36) ACACBACACA
SCHEMBL13106127 0.82 ACACB (0.39) ACACBACACA
SCHEMBL11305436 0.81 ACACB (0.34) ACACBACACATP53
SCHEMBL13106118 0.80 ACACB (0.36) ACACBACACA
SCHEMBL6024339 0.77 GGPS1 (0.43)

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 7 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-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-20110003860-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. 2011-01-06 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

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-20130289117-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES NR1H3, CYP27A1, NR1H2 ACACB 543/4885ACACA 495/4885FFAR4 114/4885
US-20170349516-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES NR1H3, CYP27A1, NR1H2 ACACB 543/4885ACACA 495/4885FFAR4 114/4885
US-20110003860-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES NR1H3, CYP27A1, NR1H2 ACACB 543/4885ACACA 495/4885FFAR4 114/4885
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 202/4885FFAR4 178/4885

“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.