SCHEMBL21735451

SCHEMBL21735451

C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)COc1ccc2cc(-c3ccc(CCCCC)cc3OC)sc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.41
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
S1PR1 P21453 3/20 0.32
LTA4H P09960 3/20 0.32
FGFR1 P11362 1/20 0.32
FGFR4 P22455 1/20 0.32
THRA P10827 2/20 0.31
S1PR3 Q99500 1/20 0.31
CYP1A2 P05177 2/20 0.30
CYP3A4 P08684 2/20 0.30
CYP2C8 P10632 2/20 0.30
CYP2C9 P11712 2/20 0.30
CYP2B6 P20813 2/20 0.30
CYP2C19 P33261 2/20 0.30
CYP2E1 P05181 1/20 0.30
HTR1A P08908 1/20 0.30
ALOX5 P09917 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2A6 P11509 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
SCHEMBL21735453 0.93 THRB (0.40) THRBS1PR1THRAS1PR3
SCHEMBL21735459 0.91 THRB (0.42) THRBPPARGPPARAS1PR1THRA
SCHEMBL21735281 0.90 THRB (0.40) THRBPPARGPPARAS1PR1LTA4H
SCHEMBL21735452 0.90 THRB (0.41) THRBPPARGPPARAS1PR1THRA
SCHEMBL21735001 0.89 THRB (0.39) THRBPPARGPPARAS1PR1LTA4H
SCHEMBL21735292 0.89 THRB (0.39) THRBPPARGPPARAS1PR1LTA4H
SCHEMBL21735785 0.89 THRB (0.40) THRBPPARGPPARAS1PR1LTA4H
SCHEMBL21735447 0.87 THRB (0.47) THRBPPARGPPARAS1PR1THRA
SCHEMBL21735762 0.86 THRB (0.41) THRBPPARGPPARAS1PR1LTA4H
SCHEMBL21735316 0.86 THRB (0.41) THRBPPARGPPARAS1PR1LTA4H

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.