SCHEMBL21735488

SCHEMBL21735488

C=CC(=O)OCC(C)(COc1ccc2cc(-c3cccnc3)n(CCCC(C)C)c2c1)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
AHR P35869 1/20 0.32
TRPV4 Q9HBA0 1/20 0.31
MCL1 Q07820 1/20 0.31
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
CYP19A1 P11511 1/20 0.31
DYRK1A Q13627 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ALOX5AP P20292 1/20 0.30
P4HTM Q9NXG6 1/20 0.30
ABL1 P00519 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
SCHEMBL21735419 0.91 MTNR1A (0.40) MTNR1AMTNR1BTRPV4MCL1MEN1
SCHEMBL21735143 0.90 MTNR1A (0.32) MTNR1AMTNR1BAHRTRPV4MCL1
SCHEMBL21735162 0.86 KCNA5 (0.33) MTNR1AMTNR1BAHRTRPV4MCL1
SCHEMBL21735489 0.81 CYP11B1 (0.32) MTNR1AMTNR1BAHRCYP11B1CYP11B2
SCHEMBL21735510 0.79 CYP11B1 (0.33) MTNR1AMTNR1BAHRCYP11B1CYP11B2
SCHEMBL21735152 0.79 CYP11B1 (0.33) MTNR1AMTNR1BAHRTRPV4CYP11B1
SCHEMBL26291812 0.77 MTNR1A (0.45) MTNR1AMTNR1BMCL1MEN1KMT2A
SCHEMBL21735024 0.77 CYP11B1 (0.35) CYP11B1CYP11B2CYP19A1P4HTMABL1
SCHEMBL21735167 0.76 MTNR1A (0.40) MTNR1AMTNR1BTRPV4MCL1
SCHEMBL21735544 0.76 MTNR1A (0.41) MTNR1AMTNR1BTRPV4MCL1

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 2622/4885AHR 48/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 MTNR1A 3327/4885MTNR1B 2622/4885AHR 48/4885

“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.