SCHEMBL18374495

SCHEMBL18374495

OB(O)c1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.69
▸ CA1 P00915 2/20 0.53
▸ CA2 P00918 2/20 0.53
▸ PLG P00747 1/20 0.48
▸ F12 P00748 1/20 0.48
▸ F11 P03951 1/20 0.48
▸ KLKB1 P03952 1/20 0.48
▸ PRSS1 P07477 1/20 0.48
▸ PRSS2 P07478 1/20 0.48
▸ PRSS3 P35030 1/20 0.48
▸ ENPP2 Q13822 6/20 0.45
▸ CA4 P22748 1/20 0.45
▸ CA6 P23280 1/20 0.45
▸ CA5A P35218 1/20 0.45
▸ CA7 P43166 1/20 0.45
▸ CA14 Q9ULX7 1/20 0.45
▸ CA5B Q9Y2D0 1/20 0.45
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.44

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
SCHEMBL32673209 1.00 MGLL (0.69) MGLLCA1CA2PLGF12
SCHEMBL23441721 0.97 MGLL (0.70) MGLLCA1CA2PLGF12
SCHEMBL30472537 0.97 MGLL (0.70) MGLLCA1CA2PLGF12
SCHEMBL24618481 0.97 MGLL (0.70) MGLLCA1CA2PLGF12
SCHEMBL31184179 0.96 MGLL (0.75) MGLLCA1CA2PLGF12
SCHEMBL23406892 0.96 MGLL (0.75) MGLLCA1CA2PLGF12
SCHEMBL15754521 0.96 MGLL (0.68) MGLLCA1CA2PLGF12
SCHEMBL29617333 0.96 MGLL (0.68) MGLLCA1CA2PLGF12
SCHEMBL22646624 0.95 MGLL (0.72) MGLLCA1CA2PLGF12
SCHEMBL26815282 0.94 MGLL (0.66) MGLLCA1CA2PLGF12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112898294-B Heterocyclic compound and organic electroluminescent device using the same 三星显示有限公司 2024-11-05 — — CN disclosed
WO-2023213837-A1 CYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-11-09 — — WO disclosed
CN-112898294-A Heterocyclic compound and organic electroluminescent device using the same 三星显示有限公司 2021-06-04 — — CN disclosed
CN-107428639-B Double-spiro compound and organic light-emitting element comprising same 株式会社LG化学 2020-10-30 — — CN disclosed
US-10730812-B2 Double spiro compound and organic light-emitting element comprising same LG CHEM, LTD. (KR) 2020-08-04 — — US disclosed
US-20180111887-A1 DOUBLE SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-04-26 — — US disclosed
US-20180111887-A1 DOUBLE SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-04-26 — — US disclosed
WO-2017111439-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2017-06-29 — — WO disclosed
WO-2017007213-A2 DOUBLE SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2017-01-12 — — WO 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-10730812-B2 Double spiro compound and organic light-emitting element comprising same NR2E3, CRY1, CRY2 MGLL 3189/4885CA1 2550/4885CA2 2658/4885
US-20180111887-A1 DOUBLE SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME NR2E3, CRY1, CRY2 MGLL 3189/4885CA1 2550/4885CA2 2658/4885

“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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