SCHEMBL19939313

SCHEMBL19939313

N#Cc1ccccc1-c1ccc(-c2ccc3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.44
▸ GABRG2 P18507 1/20 0.43
▸ GABRB3 P28472 1/20 0.43
▸ GABRA5 P31644 1/20 0.43
▸ GABRA3 P34903 1/20 0.43
▸ TRPA1 O75762 1/20 0.41
▸ CYP1A2 P05177 6/20 0.41
▸ CYP2C9 P11712 4/20 0.41
▸ CYP2C19 P33261 4/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MCL1 Q07820 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ CYP3A4 P08684 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CLK4 Q9HAZ1 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL19939353 1.00 ESR2 (0.44) ESR2GABRG2GABRB3GABRA5GABRA3
SCHEMBL19939314 0.96 ESR2 (0.45) ESR2GABRG2GABRB3GABRA5GABRA3
SCHEMBL19939349 0.93 XDH (0.42) ESR2GABRG2GABRB3GABRA5GABRA3
SCHEMBL19939333 0.90 ESR2 (0.44) ESR2GABRG2GABRB3GABRA5GABRA3
SCHEMBL19942318 0.90 ESR2 (0.44) ESR2GABRG2GABRB3GABRA5GABRA3
SCHEMBL22883100 0.88 GABRG2 (0.37) ESR2GABRG2GABRB3GABRA5GABRA3
SCHEMBL19942082 0.88 ABCG2 (0.47) GABRG2GABRB3GABRA5GABRA3CYP1A2
SCHEMBL19942212 0.88 ABCG2 (0.47) GABRG2GABRB3GABRA5GABRA3CYP1A2
SCHEMBL19942219 0.88 ABCG2 (0.47) GABRG2GABRB3GABRA5GABRA3CYP1A2
SCHEMBL19942199 0.88 ABCG2 (0.47) GABRG2GABRB3GABRA5GABRA3CYP1A2

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 4 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
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 ESR2 24/4885GABRG2 3124/4885GABRB3 2520/4885
US-20180066180-A1 ORGANIC LIGHT-EMITTING DEVICE CRY1, CRY2, PPOX ESR2 166/4885GABRG2 914/4885GABRB3 1256/4885

“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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