SCHEMBL21735018

SCHEMBL21735018

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

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
MCL1 Q07820 1/20 0.32
THRB P10828 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
SCHEMBL21735143 0.86 MTNR1A (0.32) MTNR1AMTNR1BMCL1
SCHEMBL21735068 0.82 MTNR1A (0.34) CNR2MTNR1AMTNR1BMCL1
SCHEMBL21735020 0.81 MTNR1A (0.41) MTNR1AMTNR1BTHRB
SCHEMBL21735419 0.81 MTNR1A (0.40) MTNR1AMTNR1BMCL1
SCHEMBL21735345 0.80 THRB (0.39) CNR2MTNR1AMTNR1BTHRB
SCHEMBL21735013 0.78 THRB (0.38) THRB
SCHEMBL26291812 0.76 MTNR1A (0.45) MTNR1AMTNR1BMCL1THRB
SCHEMBL21735167 0.76 MTNR1A (0.40) MTNR1AMTNR1BMCL1THRB
SCHEMBL21735544 0.75 MTNR1A (0.41) CNR2MTNR1AMTNR1BMCL1THRB
SCHEMBL21735392 0.75 THRB (0.33) THRB

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 CNR2 1870/4885MTNR1A 3327/4885MTNR1B 2622/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 CNR2 1870/4885MTNR1A 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.