SCHEMBL21784541

SCHEMBL21784541

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6cccc7c6oc6cc8oc9ccccc9c8cc67)c5)c4)n3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.52
▸ PRKDC P78527 5/20 0.44
▸ GGPS1 O95749 1/20 0.42
▸ PTGES2 Q9H7Z7 1/20 0.40
▸ PLA2G2A P14555 2/20 0.39
▸ PLA2G4A P47712 2/20 0.39
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAOA P21397 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ CSNK2A2 P19784 1/20 0.36
▸ CSNK2B P67870 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ PIM2 Q9P1W9 1/20 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
SCHEMBL21784507 0.99 ALOX5 (0.53) ALOX5PRKDCGGPS1PTGES2PLA2G2A
SCHEMBL21784505 0.99 ALOX5 (0.50) ALOX5PRKDCGGPS1PTGES2PLA2G2A
SCHEMBL24318129 0.99 ALOX5 (0.50) ALOX5PRKDCGGPS1PTGES2PLA2G2A
SCHEMBL21784788 0.97 ALOX5 (0.51) ALOX5PRKDCGGPS1PTGES2PIK3CD
SCHEMBL21784789 0.96 ALOX5 (0.51) ALOX5PRKDCGGPS1PTGES2PLA2G2A
SCHEMBL21784531 0.96 ALOX5 (0.52) ALOX5PRKDCGGPS1PTGES2PIK3CD
SCHEMBL24317994 0.95 ALOX5 (0.49) ALOX5PRKDCGGPS1PTGES2PIK3CD
SCHEMBL24318115 0.95 ALOX5 (0.52) ALOX5PRKDCGGPS1PTGES2PIK3CD
SCHEMBL15458315 0.95 ALOX5 (0.57) ALOX5PRKDCGGPS1PTGES2PLA2G2A
SCHEMBL15458308 0.95 ALOX5 (0.57) ALOX5PRKDCGGPS1PTGES2PLA2G2A

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-20220109115-A1 POLYCYCLIC COMPOUND, AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE POLYCYCLIC COMPOUND IDEMITSU KOSAN CO.,LTD. (JP) 2022-04-07 — — US disclosed
WO-2020044270-A1 POLYCYCLIC COMPOUND, AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE POLYCYCLIC COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2020-03-05 — — 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 (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-20220109115-A1 POLYCYCLIC COMPOUND, AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE POLYCYCLIC COMPOUND ODC1, OTC, PKD1 ALOX5 1698/4885PRKDC 2806/4885GGPS1 45/4885

“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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