SCHEMBL21735700

SCHEMBL21735700

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
KMT2A Q03164 1/20 0.36
THRB P10828 1/20 0.33
PDE6D O43924 1/20 0.33
CASP1 P29466 1/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NR1H2 P55055 1/20 0.32
STAT3 P40763 1/20 0.31
PLA2G10 O15496 1/20 0.31
SLC16A3 O15427 1/20 0.31
SLC16A1 P53985 1/20 0.31
MCTS1 Q9ULC4 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL21735826 0.89 MTNR1A (0.35) MTNR1AMTNR1BTHRBPDE6DCASP1
SCHEMBL21735347 0.86 MTNR1A (0.38) MTNR1AMTNR1BKMT2ATHRBPDE6D
SCHEMBL21735699 0.85 KMT2A (0.41) MTNR1AMTNR1BKMT2AALDH1A1SMN1; SMN2
SCHEMBL21735087 0.80 MTNR1A (0.32) MTNR1AMTNR1B
SCHEMBL21735691 0.80 THRB (0.41) MTNR1AMTNR1BKMT2ATHRBPDE6D
SCHEMBL21735798 0.80 MTNR1A (0.37) MTNR1AMTNR1BKMT2ATHRBPDE6D
SCHEMBL21735702 0.79 THRB (0.41) MTNR1AMTNR1BKMT2ATHRBPDE6D
SCHEMBL23395595 0.79 THRB (0.46) MTNR1AMTNR1BKMT2ATHRBPDE6D
SCHEMBL21735078 0.79 MTNR1A (0.32) MTNR1AMTNR1BSTAT3
SCHEMBL21735397 0.79 RAB9A (0.38) KMT2ATHRBALDH1A1SMN1; SMN2KDM4E

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.