SCHEMBL21116873

SCHEMBL21116873

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
ESR2 Q92731 1/20 0.41
NR3C1 P04150 1/20 0.38
CYP1A2 P05177 6/20 0.38
CYP3A4 P08684 6/20 0.38
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 4/20 0.38
HPGD P15428 3/20 0.38
CLK4 Q9HAZ1 3/20 0.38
MAPK1 P28482 2/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
PPARG P37231 1/20 0.37
HSD17B3 P37058 1/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
AR P10275 1/20 0.36

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
SCHEMBL21116875 0.96 ESR2 (0.44) TRPA1ESR2NR3C1CYP1A2CYP3A4
SCHEMBL21116876 0.92 TRPA1 (0.41) TRPA1ESR2NR3C1CYP1A2CYP3A4
SCHEMBL23798843 0.91 TRPA1 (0.36) TRPA1ESR2NR3C1CYP1A2CYP3A4
SCHEMBL21116485 0.89 AR (0.48) TRPA1NR3C1ALDH1A1HPGDMAPK1
SCHEMBL25904414 0.89 KDM4E (0.44) TRPA1ESR2NR3C1CYP1A2CYP3A4
SCHEMBL19917588 0.88 TRPA1 (0.40) TRPA1ESR2NR3C1CYP1A2CYP3A4
SCHEMBL21116511 0.88 ESR2 (0.44) TRPA1ESR2NR3C1CYP1A2CYP3A4
SCHEMBL21116457 0.88 ALDH1A1 (0.40) ALDH1A1HPGDMAPK1KDM4ELMNA
SCHEMBL21116468 0.88 STS (0.40) TRPA1ARCYP11B1CYP11B2IMPDH2
SCHEMBL19755251 0.88 AR (0.40) TRPA1ESR2ALDH1A1KDM4EAR

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 TRPA1 2216/4885ESR2 336/4885NR3C1 217/4885
US-11136294-B2 Organic molecules for use in optoelectronic devices OR10J3, ORC3, NOX3 TRPA1 2134/4885ESR2 320/4885NR3C1 199/4885

“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.