SCHEMBL10197077

SCHEMBL10197077

CCOC(=O)C(C)(C)Cc1cccc(C(=O)c2cccc(CC(C)(C)CC)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
MMP8 P22894 1/20 0.41
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41
ALDH1A1 P00352 2/20 0.39
RECQL P46063 1/20 0.39
MEP1B Q16820 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTGS2 P35354 1/20 0.36
MRGPRX4 Q96LA9 2/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL186711 0.93 CYP4F2 (0.46) CYP4F2CYP4A11MMP8PPARAPPARG
SCHEMBL10258180 0.80 PPARA (0.36) CYP4F2CYP4A11MMP8PPARAPPARG
SCHEMBL21294047 0.79 MMP8 (0.48) CYP4F2CYP4A11MMP8PPARAPPARG
SCHEMBL19006263 0.79 MMP8 (0.48) MMP8PPARAPPARGALDH1A1RECQL
SCHEMBL19006262 0.79 MMP8 (0.48) CYP4F2CYP4A11MMP8PPARAPPARG
SCHEMBL6260653 0.77 PPARA (0.54) MMP8PPARAPPARGALDH1A1RECQL
SCHEMBL10237568 0.77 RIPK1 (0.50) MMP8PPARAPPARGALDH1A1RECQL
SCHEMBL18982870 0.77 MMP8 (0.46) CYP4F2CYP4A11MMP8PPARAPPARG
SCHEMBL186196 0.76 MMP8 (0.47) CYP4F2CYP4A11MMP8PPARAALDH1A1
SCHEMBL12802501 0.76 PPARA (0.53) PPARAPPARGALDH1A1MAPTKMT2A

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-8975300-B2 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2015-03-10 US disclosed
US-20140228439-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2014-08-14 US disclosed
US-8642653-B2 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2014-02-04 US disclosed
US-20120129930-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2012-05-24 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 (2 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-20120129930-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, CETP CYP4F2 999/4885CYP4A11 101/4885MMP8 1919/4885
US-20140228439-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 CYP4F2 1045/4885CYP4A11 107/4885MMP8 1916/4885

“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.