SCHEMBL21735485

SCHEMBL21735485

C=CC(=O)OCC(C)(COc1ccc2cc(-c3ccc(CCCCC)cc3OC)n(C)c2c1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.39
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
PLA2G4A P47712 3/20 0.33
S1PR1 P21453 2/20 0.33
LTA4H P09960 2/20 0.31
FKBP1A P62942 1/20 0.30
THRA P10827 1/20 0.30
OXER1 Q8TDS5 1/20 0.30

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
SCHEMBL21735480 0.91 THRB (0.41) THRBPPARGPPARAPLA2G4ATHRA
SCHEMBL21735139 0.90 THRB (0.38) THRBPPARGPPARAPLA2G4AS1PR1
SCHEMBL21735172 0.86 THRB (0.40) THRBPPARGPPARAPLA2G4AS1PR1
SCHEMBL21735483 0.84 THRB (0.37) THRBPPARG
SCHEMBL21735047 0.84 S1PR1 (0.43) THRBPPARGPPARAS1PR1LTA4H
SCHEMBL21735491 0.83 THRB (0.38) THRBPPARGPPARAPLA2G4AS1PR1
SCHEMBL21735281 0.83 THRB (0.40) THRBPPARGPPARAS1PR1LTA4H
SCHEMBL21735487 0.83 PPARG (0.33) PPARGPPARAPLA2G4AS1PR1
SCHEMBL21735348 0.82 THRB (0.39) THRBPPARGPPARAPLA2G4AS1PR1
SCHEMBL22625037 0.82 KDM4E (0.39) THRBS1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11014901-B2 Hydrophobic compounds for optically active devices MERCK PATENT GMBH (DE) 2021-05-25 US disclosed
EP-3583091-B1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-11-04 EP disclosed
US-20200055833-A1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-02-20 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-20200055833-A1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES UACA, CRYZ, TRPA1 THRB 3289/4885PPARG 749/4885PPARA 581/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 THRB 3289/4885PPARG 749/4885PPARA 581/4885

“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.