SCHEMBL19942087

SCHEMBL19942087

N#Cc1ccccc1-c1cccc2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.42
▸ XDH P47989 1/20 0.42
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ PIM1 P11309 2/20 0.41
▸ HSD17B1 P14061 1/20 0.40
▸ HSD17B2 P37059 1/20 0.40
▸ ESR2 Q92731 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP11B1 P15538 2/20 0.38
▸ CYP11B2 P19099 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HPGD P15428 1/20 0.38

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
SCHEMBL19942318 0.93 ESR2 (0.44) TRPA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19939333 0.93 ESR2 (0.44) TRPA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL22065135 0.91 TRPA1 (0.41) TRPA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19942089 0.89 TRPA1 (0.42) TRPA1XDHGABRG2GABRB3GABRA5
SCHEMBL19939349 0.89 XDH (0.42) TRPA1XDHGABRG2GABRB3GABRA5
SCHEMBL19939305 0.89 TRPA1 (0.48) TRPA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL22883285 0.89 ABCG2 (0.39) TRPA1XDHGABRG2GABRB3GABRA5
SCHEMBL18965493 0.87 HSD17B1 (0.49) HSD17B1HSD17B2ESR2KDM4EMAPT
SCHEMBL19942094 0.85 ESR2 (0.44) TRPA1XDHGABRG2GABRB3GABRA5
SCHEMBL22064822 0.85 MEN1 (0.41) TRPA1GABRG2GABRB3GABRA5GABRA3

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-20210305516-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2021-09-30 — — US disclosed
EP-3595025-B1 ORGANIC LIGHT EMITTING ELEMENT LG CHEMICAL LTD (KR) 2020-12-30 — — EP disclosed
US-20180066180-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2018-03-08 — — 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-20210305516-A1 ORGANIC LIGHT-EMITTING DEVICE AOC2, RUVBL2, RUVBL1 TRPA1 144/4885XDH 33/4885GABRG2 3124/4885
US-20180066180-A1 ORGANIC LIGHT-EMITTING DEVICE CRY1, CRY2, PPOX TRPA1 181/4885XDH 715/4885GABRG2 914/4885

“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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