SCHEMBL2737166

SCHEMBL2737166

COC(C)(C)CCCCCC(O)CCCCCC1(C(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.45
ACACA Q13085 1/20 0.45
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
FFAR4 Q5NUL3 1/20 0.33
FFAR1 O14842 1/20 0.33
GPR84 Q9NQS5 5/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL2737173 0.99 ACACB (0.43) ACACBACACACYP4F2CYP4A11FFAR4
SCHEMBL1106745 0.86 ACACB (0.42) ACACBACACACYP4F2CYP4A11FFAR4
SCHEMBL1151941 0.85 CYP4F2 (0.35) CYP4F2CYP4A11ALDH1A1LMNACYP3A4
SCHEMBL186569 0.83 ACACB (0.69) ACACBACACACYP4F2CYP4A11FFAR4
SCHEMBL5902987 0.82 ACACB (0.46) ACACBACACACYP4F2CYP4A11FFAR4
SCHEMBL186576 0.82 FFAR4 (0.40) ACACBACACACYP4F2CYP4A11FFAR4
SCHEMBL1106802 0.82 ACACB (0.54) ACACBACACACYP4F2CYP4A11FFAR4
SCHEMBL186855 0.82 ACACB (0.66) ACACBACACAFFAR4FFAR1
SCHEMBL10298119 0.82 ACACB (0.43) ACACBACACACYP4F2CYP4A11FFAR4
SCHEMBL18633532 0.81 FFAR4 (0.39) ACACBACACACYP4F2CYP4A11FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2404890-A1 Hydroxyl compounds and compositions for cholesterol management and related uses Esperion Therapeutics Inc. (US) 2012-01-11 EP disclosed
EP-2402300-A1 Hydroxyl compounds and compositions for cholesterol management and related uses Esperion Therapeutics Inc. (US) 2012-01-04 EP 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-20120172337-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PNLIP, NR1H3, NR1H2 ACACB 204/4885ACACA 158/4885CYP4F2 2014/4885

“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.