SCHEMBL21735544

SCHEMBL21735544

C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)COc1ccc2cc(-c3ccccc3)n(CCC(C)C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
ALDH1A1 P00352 1/20 0.35
CNR2 P34972 3/20 0.33
PDE6D O43924 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
KRAS P01116 1/20 0.31
THRB P10828 1/20 0.31
NTRK1 P04629 1/20 0.31
BCHE P06276 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
MCL1 Q07820 1/20 0.30
TRPV4 Q9HBA0 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
SCHEMBL22630110 0.87 MTNR1A (0.44) MTNR1AMTNR1BALDH1A1CNR2L3MBTL1
SCHEMBL21735347 0.87 MTNR1A (0.38) MTNR1AMTNR1BALDH1A1PDE6DL3MBTL1
SCHEMBL21735568 0.86 MTNR1A (0.42) MTNR1AMTNR1BALDH1A1CNR2L3MBTL1
SCHEMBL21735854 0.85 MTNR1A (0.42) MTNR1AMTNR1BALDH1A1CNR2L3MBTL1
SCHEMBL21735419 0.85 MTNR1A (0.40) MTNR1AMTNR1BALDH1A1PDE6DL3MBTL1
SCHEMBL26291812 0.81 MTNR1A (0.45) MTNR1AMTNR1BALDH1A1PDE6DL3MBTL1
SCHEMBL21735345 0.80 THRB (0.39) MTNR1AMTNR1BCNR2PDE6DTHRB
SCHEMBL21735167 0.80 MTNR1A (0.40) MTNR1AMTNR1BALDH1A1PDE6DTHRB
SCHEMBL21735343 0.80 THRB (0.37) CNR2THRBBCHE
SCHEMBL26292555 0.79 MTNR1A (0.44) MTNR1AMTNR1BALDH1A1PDE6DL3MBTL1

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 MTNR1A 3327/4885MTNR1B 2622/4885ALDH1A1 1851/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 MTNR1A 3327/4885MTNR1B 2622/4885ALDH1A1 1851/4885

“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.