SCHEMBL21735798

SCHEMBL21735798

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
KMT2A Q03164 1/20 0.37
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
THRB P10828 1/20 0.34
PDE6D O43924 1/20 0.34
CASP1 P29466 1/20 0.33
MDM2 Q00987 1/20 0.33
MCL1 Q07820 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NR1H2 P55055 1/20 0.32

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
SCHEMBL21735347 0.82 MTNR1A (0.38) MTNR1AMTNR1BKMT2ATHRBPDE6D
SCHEMBL21735691 0.81 THRB (0.41) MTNR1AMTNR1BKMT2ATHRBPDE6D
SCHEMBL21735418 0.81
SCHEMBL21735702 0.81 THRB (0.41) MTNR1AMTNR1BKMT2ATHRBPDE6D
SCHEMBL23395595 0.81 THRB (0.46) MTNR1AMTNR1BKMT2ATHRBPDE6D
SCHEMBL21735700 0.80 MTNR1A (0.38) MTNR1AMTNR1BKMT2ATHRBPDE6D
SCHEMBL22245818 0.80 THRB (0.38) MTNR1AMTNR1BKMT2ATHRBPDE6D
SCHEMBL21735394 0.80 CYP11B1 (0.34) KMT2AALDH1A1SMN1; SMN2CYP19A1L3MBTL1
SCHEMBL20473145 0.79 THRB (0.42) MTNR1AMTNR1BKMT2ATHRBPDE6D
SCHEMBL21735213 0.78 NPC1 (0.39) THRBALDH1A1KDM4EHPGDSMN1; SMN2

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 2622/4885KMT2A 4264/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 MTNR1A 3327/4885MTNR1B 2622/4885KMT2A 4264/4885

“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.