SCHEMBL21735480

SCHEMBL21735480

C=CC(=O)OCC(C)(COc1ccc2cc(-c3ccc(CCCCC)cc3CC)n(C)c2c1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.41
PLA2G4A P47712 9/20 0.34
THRA P10827 2/20 0.31
OXER1 Q8TDS5 1/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 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
SCHEMBL21735485 0.91 THRB (0.39) THRBPLA2G4ATHRAOXER1PPARG
SCHEMBL21735016 0.85 THRB (0.41) THRBPLA2G4ATHRAPPARGPPARA
SCHEMBL21735072 0.83 THRB (0.39) THRBPLA2G4ATHRA
SCHEMBL21735235 0.82 THRB (0.41) THRBTHRAPPARA
SCHEMBL21735280 0.82 THRB (0.41) THRBTHRAPPARGPPARA
SCHEMBL21735481 0.82 PLA2G4A (0.34) THRBPLA2G4A
SCHEMBL21735022 0.81 THRB (0.39) THRBPLA2G4ATHRA
SCHEMBL21735483 0.81 THRB (0.37) THRBPPARG
SCHEMBL22624913 0.81 THRB (0.40) THRB
SCHEMBL21735081 0.81 THRB (0.38) THRBPLA2G4A

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 3289/4885PLA2G4A 995/4885THRA 3504/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 THRB 3289/4885PLA2G4A 995/4885THRA 3504/4885

“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.