SCHEMBL21131773

SCHEMBL21131773

N#Cc1ccccc1-c1ccc2c3ccc(-c4ccccc4C#N)cc3n(-c3ccc(C#N)c(-c4cc(-n5c6cc(-c7ccccc7C#N)ccc6c6ccc(-c7ccccc7C#N)cc65)ccc4C#N)c3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.45
ESR2 Q92731 1/20 0.44
TRPA1 O75762 1/20 0.44
ALDH1A1 P00352 5/20 0.43
HPGD P15428 4/20 0.43
MAPK1 P28482 3/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 6/20 0.40
CYP3A4 P08684 6/20 0.40
HSD17B10 Q99714 4/20 0.40
CLK4 Q9HAZ1 3/20 0.40
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
AR P10275 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
USP2 O75604 2/20 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
SCHEMBL21131774 0.96 NR3C1 (0.43) NR3C1ESR2TRPA1ALDH1A1HPGD
SCHEMBL21131398 0.89 AR (0.50) NR3C1TRPA1ALDH1A1HPGDMAPK1
SCHEMBL20923132 0.89 NR3C1 (0.42) NR3C1ESR2TRPA1ALDH1A1HPGD
SCHEMBL21132031 0.89 ALDH1A1 (0.50) NR3C1ALDH1A1HPGDMAPK1LMNA
SCHEMBL21131606 0.89 NR3C1 (0.48) NR3C1ESR2TRPA1ALDH1A1HPGD
SCHEMBL21131772 0.88 NR3C1 (0.46) NR3C1ESR2TRPA1ALDH1A1HPGD
SCHEMBL21116875 0.86 ESR2 (0.44) NR3C1ESR2TRPA1ALDH1A1HPGD
SCHEMBL20150436 0.86 NR3C1 (0.43) NR3C1ESR2TRPA1ALDH1A1HPGD
SCHEMBL21131402 0.85 STS (0.40) NR3C1TRPA1ALDH1A1HPGDMAPK1
SCHEMBL18347506 0.84 GABRG2 (0.42) NR3C1ESR2TRPA1ALDH1A1HPGD

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 NR3C1 323/4885ESR2 476/4885TRPA1 1987/4885
US-20190198778-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES ORC3, OR10J3, NOX3 NR3C1 316/4885ESR2 421/4885TRPA1 2322/4885

“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.