SCHEMBL21364310

SCHEMBL21364310

N#Cc1ccccc1-c1cc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccccc3c3cc(-c4ccccc4)ccc32)ccc1-n1c2ccccc2c2cc(-c3ccccc3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.37
NR3C1 P04150 1/20 0.36
CYP1A2 P05177 7/20 0.34
CYP3A4 P08684 7/20 0.34
ALDH1A1 P00352 5/20 0.34
HSD17B10 Q99714 5/20 0.34
CLK4 Q9HAZ1 4/20 0.34
HPGD P15428 3/20 0.34
MAPK1 P28482 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP2D6 P10635 3/20 0.33
CYP2C19 P33261 3/20 0.33
CYP2C9 P11712 2/20 0.33
TSHR P16473 2/20 0.33
USP2 O75604 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
BLM P54132 1/20 0.33
GABRG2 P18507 1/20 0.33

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
SCHEMBL21364816 0.98 TRPA1 (0.38) TRPA1NR3C1CYP1A2CYP3A4ALDH1A1
SCHEMBL21364485 0.97 TRPA1 (0.40) TRPA1NR3C1CYP1A2CYP3A4ALDH1A1
SCHEMBL21364311 0.97 NR3C1 (0.38) TRPA1NR3C1CYP1A2CYP3A4ALDH1A1
SCHEMBL27020822 0.96 TRPA1 (0.34) TRPA1NR3C1CYP1A2CYP3A4ALDH1A1
SCHEMBL21365071 0.95 TRPA1 (0.38) TRPA1NR3C1CYP1A2CYP3A4ALDH1A1
SCHEMBL21364808 0.95 TRPA1 (0.41) TRPA1NR3C1CYP1A2CYP3A4ALDH1A1
SCHEMBL21364814 0.95 NR3C1 (0.39) TRPA1NR3C1CYP1A2CYP3A4ALDH1A1
SCHEMBL24125274 0.94 TRPA1 (0.39) TRPA1NR3C1CYP1A2CYP3A4ALDH1A1
SCHEMBL27020849 0.94 TRPA1 (0.36) TRPA1NR3C1CYP1A2CYP3A4ALDH1A1
SCHEMBL27020830 0.94 NR3C1 (0.35) TRPA1NR3C1CYP1A2CYP3A4ALDH1A1

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-11161836-B2 Organic molecules for optoelectronic devices CYNORA GMBH (DE) 2021-11-02 US disclosed
US-20190284174-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-19 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-20190284174-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES OR10J3, OR51E2, OCIAD2 TRPA1 35/4885NR3C1 4626/4885CYP1A2 540/4885
US-11161836-B2 Organic molecules for optoelectronic devices OR10J3, OR51E2, OCIAD2 TRPA1 35/4885NR3C1 4626/4885CYP1A2 540/4885

“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.