SCHEMBL21735807

SCHEMBL21735807

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.39
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
PLA2G4A P47712 3/20 0.33
THRA P10827 1/20 0.30
ALOX5 P09917 1/20 0.30
PPARG P37231 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
SCHEMBL21735402 0.85 THRB (0.37) THRBPSEN1PSEN2APH1BNCSTN
SCHEMBL21735033 0.83 THRB (0.40) THRBTHRAALOX5PPARG
SCHEMBL21735424 0.83 THRB (0.40) THRBTHRAALOX5PPARG
SCHEMBL21735009 0.83 THRB (0.35) THRBPSEN1PSEN2APH1BNCSTN
SCHEMBL21735805 0.83 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22625295 0.82 THRB (0.39) THRB
SCHEMBL21735803 0.81 THRB (0.40) THRBPSEN1PSEN2APH1BNCSTN
SCHEMBL21735801 0.81 THRB (0.39) THRBPSEN1PSEN2APH1BNCSTN
SCHEMBL21735150 0.80 THRB (0.39) THRBPSEN1PSEN2APH1BNCSTN
SCHEMBL21735172 0.80 THRB (0.40) THRBPLA2G4AALOX5PPARG

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 3289/4885PSEN1 1388/4885PSEN2 1613/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 THRB 3289/4885PSEN1 1388/4885PSEN2 1613/4885

“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.