SCHEMBL1106806

SCHEMBL1106806

CC(C)(C)CCCCCC(O)CCCCCC1(CO)CC1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
OPRM1 P35372 1/20 0.31
OPRL1 P41146 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
SCHEMBL14704388 0.89 ACACB (0.40) ACACBACACA
SCHEMBL1106778 0.88 ACACB (0.39) ACACBACACA
SCHEMBL1106724 0.86 OPRM1 (0.33) ACACBACACAOPRM1OPRL1
SCHEMBL5902332 0.86 ACACB (0.37) ACACBACACAOPRM1OPRL1
SCHEMBL18633530 0.84 OPRM1 (0.33) OPRM1OPRL1
SCHEMBL5902385 0.84 OPRM1 (0.34) OPRM1OPRL1
SCHEMBL5903100 0.84 ACACB (0.67) ACACBACACAOPRM1OPRL1
SCHEMBL5902362 0.82 ACACB (0.64) ACACBACACAOPRM1OPRL1
SCHEMBL14150077 0.82 ACACB (0.47) ACACBACACA
SCHEMBL12138666 0.80 OPRM1 (0.32) OPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8153690-B2 Cycloalkyl-hydroxyl compounds and compositions for cholesterol management ESPERION THERAPEUTICS, INC. (US) 2012-04-10 US disclosed
US-8067466-B2 Cycloalkyl-hydroxyl compounds and compositions for cholesterol management ESPERION THERAPEUTICS, INC. (US) 2011-11-29 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 (1 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-20130040916-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PNLIP, NR1H3, NR1H2 ACACB 204/4885ACACA 158/4885OPRM1 1442/4885

“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.