SCHEMBL21294047

SCHEMBL21294047

CCOC(=O)C(C)(C)Cc1cccc(Cc2cccc(CC(C)(C)C(=O)OCC)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.48
PPARA Q07869 4/20 0.47
PPARG P37231 2/20 0.47
ALDH1A1 P00352 1/20 0.44
RECQL P46063 1/20 0.44
OPRK1 P41145 1/20 0.41
PIN1 Q13526 1/20 0.40
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
CYP1A2 P05177 2/20 0.38
ABCB11 O95342 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
HTR2A P28223 1/20 0.38
PMP22 Q01453 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
CNR2 P34972 2/20 0.38

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
SCHEMBL19006262 0.91 MMP8 (0.48) MMP8PPARAPPARGALDH1A1RECQL
SCHEMBL19006263 0.88 MMP8 (0.48) MMP8PPARAPPARGALDH1A1RECQL
SCHEMBL17145250 0.85 IDO1 (0.47) MMP8PPARAPPARGALDH1A1RECQL
SCHEMBL10237568 0.85 RIPK1 (0.50) MMP8PPARAPPARGALDH1A1RECQL
SCHEMBL18982870 0.85 MMP8 (0.46) MMP8PPARAPPARGALDH1A1RECQL
SCHEMBL186711 0.85 CYP4F2 (0.46) MMP8PPARAPPARGALDH1A1RECQL
SCHEMBL6260653 0.85 PPARA (0.54) MMP8PPARAPPARGALDH1A1RECQL
SCHEMBL12802501 0.84 PPARA (0.53) PPARAPPARGALDH1A1MTNR1AMTNR1B
SCHEMBL1492859 0.83 MMP8 (0.65) MMP8ALDH1A1RECQLPIN1TSHR
SCHEMBL18999230 0.82 MMP8 (0.44) MMP8PPARAPPARGALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10941095-B2 Hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2021-03-09 US disclosed
US-20190263742-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. 2019-08-29 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-20190263742-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES NR1H3, CYP27A1, NR1H2 MMP8 897/4885PPARA 38/4885PPARG 17/4885
US-10941095-B2 Hydroxyl compounds and compositions for cholesterol management and related uses NR1H3, CYP27A1, NR1H2 MMP8 897/4885PPARA 38/4885PPARG 17/4885

“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.