SCHEMBL21735392

SCHEMBL21735392

C=CC(=O)OCC(C)(COc1ccc2cc(-c3ccc(CC)cc3)n(C(C)C)c2c1)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.33
CASR P41180 2/20 0.33
MAPT P10636 1/20 0.31
NR1H2 P55055 1/20 0.30
PDE6D O43924 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
SCHEMBL21735135 0.83
SCHEMBL21735483 0.81 THRB (0.37) THRB
SCHEMBL21735761 0.78 ESR1 (0.36) THRBMAPT
SCHEMBL21735826 0.77 MTNR1A (0.35) THRBNR1H2PDE6D
SCHEMBL21735419 0.76 MTNR1A (0.40) NR1H2PDE6D
SCHEMBL21735018 0.75 CNR2 (0.33) THRB
SCHEMBL21735480 0.75 THRB (0.41) THRB
SCHEMBL21735030 0.74 CASR (0.34) CASRNR1H2
SCHEMBL21735345 0.74 THRB (0.39) THRBPDE6D
SCHEMBL22628837 0.73 CASR (0.33) CASRNR1H2

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 3289/4885CASR 2316/4885MAPT 681/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 THRB 3289/4885CASR 2316/4885MAPT 681/4885

“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.