SCHEMBL19678166

SCHEMBL19678166

CC(C=O)(CCCCC(O)CCCCC(C)(C(=O)O)c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.43
ACACA Q13085 1/20 0.43
TRPA1 O75762 1/20 0.34
LMNA P02545 2/20 0.34
HRH1 P35367 2/20 0.34
DRD3 P35462 2/20 0.34
CNR1 P21554 2/20 0.34
APEX1 P27695 1/20 0.34
PDE4A P27815 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2B P41595 1/20 0.34
BLM P54132 1/20 0.34
KCNH2 Q12809 1/20 0.34
PDE3A Q14432 1/20 0.34
KIF11 P52732 9/20 0.33
DRD2 P14416 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL2737106 0.99 ACACB (0.46) ACACBACACATRPA1LMNAHRH1
SCHEMBL19678186 0.97 ACACB (0.39) ACACBACACATRPA1LMNAHRH1
SCHEMBL6180988 0.89 ACACB (0.46) ACACBACACATRPA1CNR1KIF11
SCHEMBL12094471 0.89 ACACB (0.53) ACACBACACATRPA1LMNAHRH1
SCHEMBL12094467 0.89 ACACB (0.38) ACACBACACATRPA1CNR1KIF11
SCHEMBL10264471 0.88 ACACB (0.56) ACACBACACATRPA1CNR1KIF11
SCHEMBL6179995 0.86 ACACB (0.47) ACACBACACATRPA1LMNAHRH1
SCHEMBL19678200 0.84 FFAR4 (0.42) ACACBACACACNR1CNR2
SCHEMBL19678203 0.84 FFAR4 (0.42) ACACBACACACNR1CNR2
SCHEMBL10264393 0.84 ACACB (0.42) ACACBACACATRPA1CNR1KIF11

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-20170349516-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. 2017-12-07 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-20170349516-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES NR1H3, CYP27A1, NR1H2 ACACB 543/4885ACACA 495/4885TRPA1 3644/4885

“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.