SCHEMBL29312710

SCHEMBL29312710

c1ccc(-c2ccc(N(c3ccc(-c4cc(-c5ccccc5)cc5c4oc4ccccc45)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 3/20 0.43
▸ PRKDC P78527 9/20 0.38
▸ PIK3CD O00329 2/20 0.36
▸ PIK3CB P42338 2/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ BRDT Q58F21 1/20 0.36
▸ GGPS1 O95749 1/20 0.32
▸ PARP14 Q460N5 1/20 0.32
▸ ESR2 Q92731 2/20 0.31
▸ PLA2G2A P14555 1/20 0.31
▸ PLA2G4A P47712 1/20 0.31
▸ TNKS O95271 1/20 0.31
▸ TNKS2 Q9H2K2 1/20 0.31
▸ F9 P00740 1/20 0.31
▸ ESR1 P03372 1/20 0.30
▸ LIMK1 P53667 1/20 0.30

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
SCHEMBL19607011 0.98 ALOX5 (0.43) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL19607209 0.95 ALOX5 (0.41) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL29312592 0.94 ALOX5 (0.40) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL29312692 0.94 ALOX5 (0.43) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL29312642 0.93 ALOX5 (0.41) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL15964402 0.91 ALOX5 (0.43) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL17412445 0.91 ALOX5 (0.43) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL15696482 0.91 ALOX5 (0.43) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL29312705 0.91 ALOX5 (0.35) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL17126790 0.91 ALOX5 (0.42) ALOX5PRKDCPIK3CDPIK3CBBRD4

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
US-12041848-B2 Heterocyclic compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2024-07-16 — — US disclosed
US-12041848-B2 Heterocyclic compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2024-07-16 — — 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-12041848-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, CRY2, NR2E3 ALOX5 1089/4885PRKDC 4232/4885PIK3CD 4731/4885

“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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