SCHEMBL21735826

SCHEMBL21735826

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
PDE6D O43924 1/20 0.32
THRB P10828 1/20 0.32
CASP1 P29466 1/20 0.31
NR1H2 P55055 1/20 0.30
PLA2G10 O15496 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
SCHEMBL21735700 0.89 MTNR1A (0.38) MTNR1AMTNR1BPDE6DTHRBCASP1
SCHEMBL21735070 0.87 THRB (0.38) MTNR1AMTNR1BPDE6DTHRBCASP1
SCHEMBL22630059 0.84 CYP11B1 (0.35)
SCHEMBL21735506 0.80 CYP11B1 (0.35)
SCHEMBL21735510 0.80 CYP11B1 (0.33) MTNR1AMTNR1B
SCHEMBL21735821 0.79 CYP11B1 (0.34) THRB
SCHEMBL21735087 0.78 MTNR1A (0.32) MTNR1AMTNR1B
SCHEMBL21735392 0.77 THRB (0.33) PDE6DTHRBNR1H2
SCHEMBL21735397 0.77 RAB9A (0.38) THRB
SCHEMBL21735325 0.76 ESR1 (0.37) THRBCASP1

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 2622/4885PDE6D 29/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 MTNR1A 3327/4885MTNR1B 2622/4885PDE6D 29/4885

“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.