SCHEMBL10258180

SCHEMBL10258180

CCOC(=O)C(C)(C)Cc1cccc(C(=O)c2cccc(CC(C)(C)C3OC(C)O3)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.36
PPARG P37231 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
MMP8 P22894 1/20 0.36
ALDH1A1 P00352 2/20 0.34
RECQL P46063 1/20 0.34
MEP1B Q16820 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PTGS2 P35354 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
CNR2 P34972 1/20 0.32
TP53 P04637 1/20 0.32
PKM P14618 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32

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 0.86 CYP4F2 (0.46) PPARAPPARGCYP4F2CYP4A11MMP8
SCHEMBL10197077 0.80 CYP4F2 (0.41) PPARAPPARGCYP4F2CYP4A11MMP8
SCHEMBL19006262 0.73 MMP8 (0.48) PPARAPPARGCYP4F2CYP4A11MMP8
SCHEMBL19006263 0.73 MMP8 (0.48) PPARAPPARGMMP8ALDH1A1RECQL
SCHEMBL21294047 0.73 MMP8 (0.48) PPARAPPARGCYP4F2CYP4A11MMP8
SCHEMBL17145250 0.71 IDO1 (0.47) PPARAPPARGMMP8ALDH1A1RECQL
SCHEMBL10237568 0.71 RIPK1 (0.50) PPARAPPARGMMP8ALDH1A1RECQL
SCHEMBL18982870 0.71 MMP8 (0.46) PPARAPPARGCYP4F2CYP4A11MMP8
SCHEMBL6260653 0.71 PPARA (0.54) PPARAPPARGMMP8ALDH1A1RECQL
SCHEMBL186196 0.70 MMP8 (0.47) PPARACYP4F2CYP4A11MMP8ALDH1A1

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-20120129930-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2012-05-24 US disclosed
US-8084498-B2 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2011-12-27 US disclosed
US-20100137444-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. 2010-06-03 US disclosed
US-7705177-B2 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPUETICS, INC. (US) 2010-04-27 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 PPARA 26/4885PPARG 38/4885CYP4F2 999/4885
US-20100137444-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 PPARA 27/4885PPARG 39/4885CYP4F2 1045/4885

“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.