SCHEMBL21755998

SCHEMBL21755998

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc(-c5ccccc5-c5ccc6c7ccccc7c7ccccc7c6c5)cc34)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP12 P39900 1/20 0.37
▸ CHEK2 O96017 1/20 0.37
▸ ALDH1A1 P00352 6/20 0.37
▸ HPGD P15428 6/20 0.37
▸ MAPT P10636 5/20 0.37
▸ KMT2A Q03164 5/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ AHR P35869 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ TSHR P16473 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.37
▸ PLA2G2A P14555 2/20 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
SCHEMBL22240908 0.99 MMP12 (0.37) MMP12CHEK2ALDH1A1HPGDMAPT
SCHEMBL21755987 0.96 PLA2G2A (0.37) MMP12CHEK2ALDH1A1HPGDMAPT
SCHEMBL26192781 0.96 MAPT (0.41) MMP12CHEK2ALDH1A1HPGDMAPT
SCHEMBL26192778 0.96 MAPT (0.41) MMP12CHEK2ALDH1A1HPGDMAPT
SCHEMBL26194127 0.96 MAPT (0.41) MMP12CHEK2ALDH1A1HPGDMAPT
SCHEMBL26194205 0.96 MAPT (0.41) MMP12CHEK2ALDH1A1HPGDMAPT
SCHEMBL22240724 0.96 MEN1 (0.39) MMP12ALDH1A1HPGDMAPTKMT2A
SCHEMBL22352519 0.95 PLA2G2A (0.39) MMP12CHEK2ALDH1A1HPGDMAPT
SCHEMBL26193186 0.94 PLA2G2A (0.42) MMP12CHEK2ALDH1A1HPGDMAPT
SCHEMBL26193275 0.94 PLA2G2A (0.42) MMP12CHEK2ALDH1A1HPGDMAPT

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
EP-4257586-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING DEVICE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT-EMITTING DEVICE LT Materials Co., Ltd. (KR) 2023-10-11 — — EP disclosed
US-11515484-B2 Heterocyclic compound and organic light emitting element comprising same LT MATERIALS CO., LTD. (KR) 2022-11-29 — — US disclosed
US-20210280800-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2021-09-09 — — US disclosed
US-20200266355-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME HEESUNG MATERIAL LTD. (KR) 2020-08-20 — — US disclosed
EP-3683217-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LT Materials Co., Ltd. (KR) 2020-07-22 — — EP disclosed
WO-2020040571-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-02-27 — — 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 (3 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-11515484-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, CRY2, CYP1A1 MMP12 4380/4885CHEK2 2286/4885ALDH1A1 15/4885
US-20200266355-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, CYP1A1 MMP12 4380/4885CHEK2 2286/4885ALDH1A1 15/4885
US-20210280800-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY1, AOX1, CYBA MMP12 4284/4885CHEK2 2201/4885ALDH1A1 10/4885

“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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