SCHEMBL22065316

SCHEMBL22065316

N#Cc1ccccc1-c1ccc(-c2c(-c3ccc4cc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)ccc4c3)ccc3ccccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.42
▸ ABL1 P00519 1/20 0.41
▸ ESR2 Q92731 1/20 0.39
▸ MAPK1 P28482 3/20 0.38
▸ PIM1 P11309 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ GABRA3 P34903 1/20 0.38
▸ ALOX5AP P20292 1/20 0.38
▸ FEN1 P39748 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ NR3C1 P04150 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ CYP1A2 P05177 3/20 0.36
▸ CYP3A4 P08684 3/20 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
SCHEMBL19939351 0.93 ESR2 (0.44) TRPA1ESR2MAPK1KMT2AKDM4E
SCHEMBL19939330 0.93 ESR2 (0.44) TRPA1ESR2MAPK1KMT2AKDM4E
SCHEMBL20405130 0.89 ESR2 (0.43) TRPA1ESR2MAPK1KMT2AKDM4E
SCHEMBL21131896 0.88 CYP1A2 (0.43) MAPK1KMT2AKDM4EMAPTADORA2A
SCHEMBL20404926 0.88 ESR2 (0.44) TRPA1ESR2MAPK1KMT2AKDM4E
SCHEMBL22114987 0.87 ABCG2 (0.43) PIM1KMT2AGABRG2GABRB3GABRA5
SCHEMBL25118673 0.87 ABL1 (0.35) TRPA1ABL1ESR2MAPK1PIM1
SCHEMBL19942336 0.87 CYP1A2 (0.42) MAPK1KMT2AKDM4EMAPTGABRG2
SCHEMBL19939352 0.87 ESR2 (0.42) TRPA1ESR2MAPK1PIM1KMT2A
SCHEMBL19939315 0.87 MAPT (0.41) TRPA1ESR2MAPK1PIM1KMT2A

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-20220131091-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2022-04-28 — — US disclosed
US-11316116-B1 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2022-04-26 — — US disclosed
US-20200181096-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2020-06-11 — — 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 (1 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-20200181096-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY1, CYP1A1, AHR TRPA1 64/4885ABL1 1874/4885ESR2 159/4885

“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.

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