SCHEMBL21735345

SCHEMBL21735345

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.39
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
PSEN1 P49768 9/20 0.35
PSEN2 P49810 9/20 0.35
APH1B Q8WW43 9/20 0.35
NCSTN Q92542 9/20 0.35
APH1A Q96BI3 9/20 0.35
PSENEN Q9NZ42 9/20 0.35
CNR2 P34972 3/20 0.32
SMPD1 P17405 1/20 0.32
LMNA P02545 1/20 0.32
PLA2G4A P47712 1/20 0.32
PDE6D O43924 1/20 0.31

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
SCHEMBL21735508 0.88 MTNR1A (0.38) MTNR1AMTNR1BPSEN1PSEN2APH1B
SCHEMBL21735346 0.82 THRB (0.37) THRBPSEN1PSEN2APH1BNCSTN
SCHEMBL21735544 0.80 MTNR1A (0.41) THRBMTNR1AMTNR1BCNR2PDE6D
SCHEMBL21735018 0.80 CNR2 (0.33) THRBMTNR1AMTNR1BCNR2
SCHEMBL22628847 0.79 MTNR1A (0.42) THRBMTNR1AMTNR1BPSEN1PSEN2
SCHEMBL21735343 0.79 THRB (0.37) THRBCNR2PLA2G4A
SCHEMBL21735348 0.79 THRB (0.39) THRBPLA2G4A
SCHEMBL21735347 0.79 MTNR1A (0.38) THRBMTNR1AMTNR1BPDE6D
SCHEMBL21735704 0.77 MTNR1A (0.43) THRBMTNR1AMTNR1BPSEN1PSEN2
SCHEMBL21735507 0.76 NR1H2 (0.41) THRBPDE6D

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 3289/4885MTNR1A 3327/4885MTNR1B 2622/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 THRB 3289/4885MTNR1A 3327/4885MTNR1B 2622/4885

“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.