SCHEMBL21116906

SCHEMBL21116906

N#Cc1ccccc1-c1ccc2c3ccccc3n(-c3cc(-c4ccc(C(F)(F)F)c(-n5c6ccccc6c6ccc(-c7ccccc7C#N)cc65)c4)ccc3C(F)(F)F)c2c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.45
PGR P06401 2/20 0.43
PTPN5 P54829 1/20 0.38
TRPA1 O75762 1/20 0.37
NR3C1 P04150 1/20 0.36
ESR2 Q92731 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 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
SCHEMBL21116905 0.96 AR (0.48) ARPGRPTPN5TRPA1NR3C1
SCHEMBL21116904 0.93 AR (0.45) ARPGRPTPN5TRPA1NR3C1
SCHEMBL23798872 0.91 AR (0.41) ARPGRPTPN5NR3C1ALOX5AP
SCHEMBL21116477 0.90 AR (0.48) ARPGRPTPN5NR3C1ESR2
SCHEMBL21116565 0.89 AR (0.39) ARPGR
SCHEMBL20616986 0.86 AR (0.48) ARPGRPTPN5TRPA1NR3C1
SCHEMBL21116873 0.86 TRPA1 (0.41) ARPTPN5TRPA1NR3C1ESR2
SCHEMBL21116341 0.86 SCN9A (0.43) ARPGRTRPA1NR3C1ALOX5AP
SCHEMBL21116487 0.85 KIF11 (0.50) ARPTPN5
SCHEMBL21116553 0.84 KIF11 (0.40) ARPGRPTPN5

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-11136294-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-10-05 US disclosed
EP-3478656-B1 DICARBAZOLE DIPHENYL DERIVATIVES FOR USE IN OPTOPELECTRONIC DEVICES CYNORA GMBH (DE) 2021-09-08 EP disclosed
US-20190194130-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-06-27 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-20190194130-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, NOX3, ORC3 AR 1096/4885PGR 2665/4885PTPN5 2951/4885
US-11136294-B2 Organic molecules for use in optoelectronic devices OR10J3, ORC3, NOX3 AR 1080/4885PGR 2701/4885PTPN5 2989/4885

“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.