SCHEMBL21132065

SCHEMBL21132065

N#Cc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1ccc(C(F)(F)F)c(-c2cc(-n3c4ccc(-c5ccccc5C#N)cc4c4cc(-c5ccccc5C#N)ccc43)ccc2C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.50
NR3C1 P04150 2/20 0.45
PGR P06401 3/20 0.44
PTPN5 P54829 1/20 0.39
ESR2 Q92731 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPK1 P28482 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
HPGD P15428 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37

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
SCHEMBL21131619 0.98 AR (0.54) ARNR3C1PGRPTPN5ALDH1A1
SCHEMBL21131795 0.97 AR (0.47) ARNR3C1PGRPTPN5
SCHEMBL21131616 0.94 AR (0.51) ARNR3C1PGRPTPN5
SCHEMBL21131567 0.91 AR (0.60) ARNR3C1PGR
SCHEMBL21131796 0.91 AR (0.50) ARNR3C1PGRPTPN5ESR2
SCHEMBL21131568 0.87 AR (0.56) ARNR3C1PGR
SCHEMBL21116477 0.87 AR (0.48) ARNR3C1PGRPTPN5ESR2
SCHEMBL21131606 0.86 NR3C1 (0.48) ARNR3C1ESR2ALDH1A1CYP1A2
SCHEMBL21131425 0.86 AR (0.40) ARNR3C1PGR
SCHEMBL21131410 0.86 AR (0.41) ARNR3C1PGR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11380849-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2022-07-05 US disclosed
US-20190198778-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-11380849-B2 Organic molecules for use in optoelectronic devices OR10J3, NOX3, ORC3 AR 912/4885NR3C1 323/4885PGR 2416/4885
US-20190198778-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES ORC3, OR10J3, NOX3 AR 1037/4885NR3C1 316/4885PGR 2672/4885

“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.