SCHEMBL21294046

SCHEMBL21294046

CCOC(=O)C(C)(C)CC(=O)c1ccc(C(=O)c2ccc(CC(C)(C)C(=O)OCC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MMP8 P22894 1/20 0.42
ELANE P08246 3/20 0.41
RECQL P46063 1/20 0.39
OPRK1 P41145 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
LMNA P02545 2/20 0.37
MAOA P21397 1/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
SRD5A2 P31213 1/20 0.36
TSHR P16473 2/20 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
SCHEMBL186196 0.93 MMP8 (0.47) ALDH1A1NPSR1MMP8ELANERECQL
SCHEMBL1373141 0.80 ESR1 (0.56) ALDH1A1POLBNPSR1ELANEMAPT
SCHEMBL13170332 0.80 MMP8 (0.49) ALDH1A1NPSR1MMP8RECQLOPRK1
SCHEMBL10596544 0.79 TSHR (0.56) ALDH1A1POLBNPSR1ELANEOPRK1
SCHEMBL20143674 0.79 ALDH1A1 (0.50) ALDH1A1POLBNPSR1SMN1; SMN2MAPT
SCHEMBL12121920 0.79 POLB (0.66) ALDH1A1POLBNPSR1MMP8RECQL
SCHEMBL22070681 0.79 MMP8 (0.48) ALDH1A1MMP8RECQLOPRK1CYP1A2
SCHEMBL8486868 0.79 ESR1 (0.50) ALDH1A1MMP8RECQLOPRK1CYP1A2
SCHEMBL4232023 0.78 LMNA (0.53) ALDH1A1POLBNPSR1MMP8SMN1; SMN2
SCHEMBL1722319 0.78 F2 (0.37) ALDH1A1POLBMMP8ELANERECQL

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 ALDH1A1 1480/4885POLB 3158/4885NPSR1 1852/4885
US-10941095-B2 Hydroxyl compounds and compositions for cholesterol management and related uses NR1H3, CYP27A1, NR1H2 ALDH1A1 1480/4885POLB 3158/4885NPSR1 1852/4885

“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.