SCHEMBL21735508

SCHEMBL21735508

C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)COc1ccc(-c2cc3ccccc3n2CCCCC)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PSEN1 P49768 8/20 0.38
PSEN2 P49810 8/20 0.38
APH1B Q8WW43 8/20 0.38
NCSTN Q92542 8/20 0.38
APH1A Q96BI3 8/20 0.38
PSENEN Q9NZ42 8/20 0.38
CNR2 P34972 5/20 0.38
NR1H2 P55055 1/20 0.37
PLA2G4A P47712 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL21735345 0.88 THRB (0.39) MTNR1AMTNR1BPSEN1PSEN2APH1B
SCHEMBL21735507 0.87 NR1H2 (0.41) ALDH1A1NR1H2HRH3
SCHEMBL21735829 0.82 CNR2 (0.38) MTNR1AMTNR1BALDH1A1PSEN1PSEN2
SCHEMBL22245738 0.82 CNR2 (0.41) MTNR1AMTNR1BALDH1A1PSEN1PSEN2
SCHEMBL21735544 0.79 MTNR1A (0.41) MTNR1AMTNR1BALDH1A1CNR2L3MBTL1
SCHEMBL21735347 0.79 MTNR1A (0.38) MTNR1AMTNR1BALDH1A1NR1H2L3MBTL1
SCHEMBL22628847 0.78 MTNR1A (0.42) MTNR1AMTNR1BALDH1A1PSEN1PSEN2
SCHEMBL21735704 0.76 MTNR1A (0.43) MTNR1AMTNR1BALDH1A1PSEN1PSEN2
SCHEMBL26291799 0.75 ALDH1A1 (0.43) MTNR1AMTNR1BALDH1A1PSEN1PSEN2
SCHEMBL18575695 0.74 ALDH1A1 (0.41) ALDH1A1PSEN1PSEN2APH1BNCSTN

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 2622/4885ALDH1A1 1851/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 MTNR1A 3327/4885MTNR1B 2622/4885ALDH1A1 1851/4885

“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.