SCHEMBL21370099

SCHEMBL21370099

c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3ccc4c(c3)c3cc5ccccc5cc3n4-c3ccccc3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.36
▸ ESR2 Q92731 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HTR1D P28221 1/20 0.34
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ TSPO P30536 1/20 0.32
▸ HSD17B1 P14061 1/20 0.32
▸ HSD17B2 P37059 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ NISCH Q9Y2I1 1/20 0.31

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
SCHEMBL20813266 0.95 HSD17B1 (0.35) ESR1ESR2KDM4EATML3MBTL1
SCHEMBL24032438 0.95 KDM4E (0.38) ESR1ESR2KDM4EATML3MBTL1
SCHEMBL17720454 0.94 KDM4E (0.33) ESR1ESR2KDM4EATML3MBTL1
SCHEMBL17720452 0.94 KDM4E (0.37) KDM4EATML3MBTL1TSPOALDH1A1
SCHEMBL17720455 0.94 KDM4E (0.37) KDM4EATML3MBTL1TSPOALDH1A1
SCHEMBL21587227 0.93 ESR1 (0.39) ESR1ESR2KDM4EATML3MBTL1
SCHEMBL12704948 0.93 ESR1 (0.39) ESR1ESR2KDM4EATML3MBTL1
SCHEMBL17720462 0.92 KDM4E (0.36) KDM4EATML3MBTL1TSPOALDH1A1
SCHEMBL6373480 0.92 KDM4E (0.46) ESR1ESR2KDM4EATML3MBTL1
SCHEMBL13803433 0.92 KDM4E (0.46) ESR1ESR2KDM4EATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230255110-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2023-08-10 — — US disclosed
US-20230255110-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2023-08-10 — — US disclosed
US-20200216392-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2020-07-09 — — US disclosed
US-20200203629-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2020-06-25 — — US disclosed
US-20190288222-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2019-09-19 — — 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-20190288222-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ICOSLG, ELAVL1, SOD1 ESR1 201/4885ESR2 606/4885KDM4E 841/4885
US-20200216392-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME TERF2, PIEZO1, TERT ESR1 1127/4885ESR2 1402/4885KDM4E 1076/4885

“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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