SCHEMBL21735348

SCHEMBL21735348

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.39
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
S1PR1 P21453 2/20 0.33
OXER1 Q8TDS5 2/20 0.32
PLA2G4A P47712 6/20 0.31
LTA4H P09960 2/20 0.31
THRA P10827 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 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
SCHEMBL21735091 0.84 THRB (0.37) THRBPPARGPPARAS1PR1PLA2G4A
SCHEMBL21735344 0.83 THRB (0.38) THRBOXER1
SCHEMBL21735085 0.83 THRB (0.37) THRB
SCHEMBL21735093 0.83 S1PR1 (0.43) THRBPPARGPPARAS1PR1LTA4H
SCHEMBL21735485 0.82 THRB (0.39) THRBPPARGPPARAS1PR1OXER1
SCHEMBL21735346 0.82 THRB (0.37) THRBPLA2G4A
SCHEMBL21735343 0.82 THRB (0.37) THRBPLA2G4A
SCHEMBL21735451 0.82 THRB (0.41) THRBPPARGPPARAS1PR1LTA4H
SCHEMBL21735139 0.81 THRB (0.38) THRBPPARGPPARAS1PR1PLA2G4A
SCHEMBL22624952 0.81 THRB (0.39) THRBS1PR1ALDH1A1HTT

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.