SCHEMBL21735491

SCHEMBL21735491

C=CC(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccc(CCCCC)cc3OC)n(C)c2c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.38
S1PR1 P21453 2/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
PLA2G4A P47712 2/20 0.32
LTA4H P09960 1/20 0.32
MET P08581 2/20 0.31
CNR2 P34972 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
SCHEMBL21735072 0.91 THRB (0.39) THRBPLA2G4A
SCHEMBL21735172 0.90 THRB (0.40) THRBS1PR1PPARGPPARAPLA2G4A
SCHEMBL21735638 0.84 THRB (0.39) THRBS1PR1PPARGPPARALTA4H
SCHEMBL21735494 0.84 THRB (0.34) THRBCNR2
SCHEMBL21735387 0.84 S1PR1 (0.44) THRBS1PR1PPARGPPARA
SCHEMBL21735485 0.83 THRB (0.39) THRBS1PR1PPARGPPARAPLA2G4A
SCHEMBL21735822 0.83 S1PR1 (0.33) S1PR1PPARGPPARAPLA2G4A
SCHEMBL21735074 0.82 THRB (0.37) THRB
SCHEMBL21735496 0.82 THRB (0.39) THRBS1PR1PPARGPLA2G4A
SCHEMBL22628835 0.82 THRB (0.36) THRBS1PR1PPARGPPARALTA4H

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 3289/4885S1PR1 3951/4885PPARG 749/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 THRB 3289/4885S1PR1 3951/4885PPARG 749/4885

“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.