SCHEMBL19939333

SCHEMBL19939333

N#Cc1ccccc1-c1ccc(-c2ccc3c(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cccc3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.44
▸ TRPA1 O75762 1/20 0.44
▸ GABRG2 P18507 2/20 0.43
▸ GABRB3 P28472 2/20 0.43
▸ GABRA5 P31644 1/20 0.43
▸ GABRA3 P34903 1/20 0.43
▸ HSD17B1 P14061 1/20 0.42
▸ HSD17B2 P37059 1/20 0.42
▸ CYP1A2 P05177 5/20 0.41
▸ CYP2C9 P11712 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MCL1 Q07820 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HPGD P15428 2/20 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 1.00 ESR2 (0.44) ESR2TRPA1GABRG2GABRB3GABRA5
SCHEMBL19939305 0.96 TRPA1 (0.48) ESR2TRPA1GABRG2GABRB3GABRA5
SCHEMBL19942087 0.93 TRPA1 (0.42) ESR2TRPA1GABRG2GABRB3GABRA5
SCHEMBL22065135 0.92 TRPA1 (0.41) TRPA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19939313 0.90 ESR2 (0.44) ESR2TRPA1GABRG2GABRB3GABRA5
SCHEMBL19939353 0.90 ESR2 (0.44) ESR2TRPA1GABRG2GABRB3GABRA5
SCHEMBL19942094 0.90 ESR2 (0.44) ESR2TRPA1GABRG2GABRB3GABRA5
SCHEMBL22883078 0.88 CYP1A2 (0.40) ESR2TRPA1GABRG2GABRB3GABRA5
SCHEMBL19939339 0.88 ABCG2 (0.47) GABRG2GABRB3GABRA5GABRA3HSD17B1
SCHEMBL19939332 0.88 ABCG2 (0.47) GABRG2GABRB3GABRA5GABRA3HSD17B1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11152576-B2 Organic light emitting device LG CHEM, LTD. (KR) 2021-10-19 — — US disclosed
US-20210305516-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2021-09-30 — — US disclosed
US-20210013422-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2021-01-14 — — 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 24/4885TRPA1 144/4885GABRG2 3124/4885
US-20180066180-A1 ORGANIC LIGHT-EMITTING DEVICE CRY1, CRY2, PPOX ESR2 166/4885TRPA1 181/4885GABRG2 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.

Send feedback