SCHEMBL21735699

SCHEMBL21735699

Cn1c(-c2ccccc2)cc2ccc(OCC(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)CO)cc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
APP P05067 4/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NR1H2 P55055 1/20 0.33
CYP19A1 P11511 1/20 0.32
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
STAT3 P40763 1/20 0.31
PLA2G10 O15496 1/20 0.31
ACSS2 Q9NR19 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
SCHEMBL21735700 0.85 MTNR1A (0.38) KMT2AMTNR1AMTNR1BAPPALDH1A1
SCHEMBL21735555 0.82 NR1H2 (0.41) KMT2AMTNR1AMTNR1BAPPALDH1A1
SCHEMBL22628840 0.76 MTNR1A (0.38) KMT2AMTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL21735078 0.76 MTNR1A (0.32) MTNR1AMTNR1BSTAT3
SCHEMBL21735543 0.75 MTNR1A (0.38) KMT2AMTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL21735823 0.75 MTNR1A (0.43) KMT2AMTNR1AMTNR1BALDH1A1SMN1; SMN2
SCHEMBL21735647 0.74 KMT2A (0.43) KMT2AMTNR1AMTNR1BAPPALDH1A1
SCHEMBL21735698 0.74 KMT2A (0.40) KMT2AMTNR1AMTNR1BAPPALDH1A1
SCHEMBL21735701 0.74 KMT2A (0.42) KMT2AMTNR1AMTNR1BAPPALDH1A1
SCHEMBL20473383 0.73 KMT2A (0.49) KMT2AMTNR1AMTNR1BALDH1A1KDM4E

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

“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.