SCHEMBL939882

SCHEMBL939882

CC(C)(CCCCC(O)CCCCC(C)(C)C(=O)O)CCC(=O)O

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.72
ACACA Q13085 1/20 0.72
FFAR1 O14842 2/20 0.45
FFAR4 Q5NUL3 1/20 0.45
ACLY P53396 1/20 0.42
TBXAS1 P24557 2/20 0.40
CPT2 P23786 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GPR84 Q9NQS5 4/20 0.35
NAALAD2 Q9Y3Q0 1/20 0.35
FAAH O00519 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
SCHEMBL28293184 0.92 ACACB (0.75) ACACBACACAFFAR1FFAR4ACLY
SCHEMBL6180003 0.90 ACACB (0.59) ACACBACACAFFAR1FFAR4TBXAS1
SCHEMBL19159454 0.87 ACACB (0.83) ACACBACACAFFAR1FFAR4ACLY
SCHEMBL186486 0.86 ACACB (0.96) ACACBACACAFFAR1FFAR4ACLY
SCHEMBL205270 0.86 ACACB (0.96) ACACBACACAFFAR1FFAR4ACLY
SCHEMBL6198099 0.85 ACACB (0.50) ACACBACACAFFAR1FFAR4TBXAS1
SCHEMBL23348922 0.84 ACACB (1.00) ACACBACACAFFAR1FFAR4ACLY
Bempedoic Acid SCHEMBL185768 0.84 ACACB (1.00) ACACBACACAFFAR1FFAR4ACLY
SCHEMBL186052 0.84 ACACB (1.00) ACACBACACAFFAR1FFAR4ACLY
SCHEMBL19159252 0.84 ACACB (0.77) ACACBACACAFFAR1FFAR4ACLY

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

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

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-20110003860-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES NR1H3, CYP27A1, NR1H2 ACACB 543/4885ACACA 495/4885FFAR1 205/4885

“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.