SCHEMBL22639425

SCHEMBL22639425

c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5c(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)ccc6ccccc56)c4)n3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.38
▸ ATM Q13315 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ PDE7A Q13946 2/20 0.35
▸ PDE7B Q9NP56 2/20 0.35
▸ HDAC4 P56524 1/20 0.34
▸ GPR84 Q9NQS5 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33

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
SCHEMBL22639382 0.99 ATM (0.39) KDM4EATML3MBTL1PDE7APDE7B
SCHEMBL24824200 0.98 KDM4E (0.36) KDM4EATML3MBTL1PDE7APDE7B
SCHEMBL22639431 0.98 KDM4E (0.38) KDM4EATML3MBTL1PDE7APDE7B
SCHEMBL22639390 0.98 KDM4E (0.40) KDM4EATML3MBTL1PDE7APDE7B
SCHEMBL22639426 0.92 ATM (0.42) KDM4EATML3MBTL1HDAC4GPR84
SCHEMBL22639494 0.91 L3MBTL1 (0.44) KDM4EATML3MBTL1HDAC4MAPT
SCHEMBL24154174 0.88 CA12 (0.43) KDM4EATML3MBTL1HDAC4CA12
SCHEMBL23319005 0.88 L3MBTL1 (0.44) KDM4EATML3MBTL1HDAC4MAPT
SCHEMBL22639423 0.88 PDE7A (0.40) KDM4EATML3MBTL1PDE7APDE7B
SCHEMBL26278694 0.87 KDM4E (0.36) KDM4EATML3MBTL1PDE7APDE7B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3372593-B1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2020-12-23 — — EP disclosed
US-10833278-B2 Compound and organic light emitting device comprising the same LG CHEM, LTD. (KR) 2020-11-10 — — 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 (1 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-10833278-B2 Compound and organic light emitting device comprising the same CRY1, CRY2, ORC3 KDM4E 2260/4885ATM 2733/4885L3MBTL1 1353/4885

“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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