SCHEMBL21784883

SCHEMBL21784883

c1ccc(-c2nc(-c3ccc4oc5cc6c(cc5c4c3)oc3ccccc36)nc(-c3cccc4c3sc3ccccc34)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.43
PRKDC P78527 6/20 0.40
PIK3CD O00329 2/20 0.35
PIK3CB P42338 2/20 0.35
CHEK2 O96017 1/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
KDM4E B2RXH2 2/20 0.34
PLA2G2A P14555 2/20 0.34
PLA2G4A P47712 2/20 0.34
PLA2G10 O15496 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL21784827 0.98 ALOX5 (0.41) ALOX5PRKDCPIK3CDPIK3CBCHEK2
SCHEMBL21784857 0.98 ALOX5 (0.41) ALOX5PRKDCPIK3CDPIK3CBCHEK2
SCHEMBL21784866 0.98 ALOX5 (0.41) ALOX5PRKDCPIK3CDPIK3CBCHEK2
SCHEMBL24318044 0.98 ALOX5 (0.41) ALOX5PRKDCPIK3CDPIK3CBCHEK2
SCHEMBL21707324 0.98 ALOX5 (0.44) ALOX5PRKDCPIK3CDPIK3CBCHEK2
SCHEMBL24318042 0.97 ALOX5 (0.40) ALOX5PRKDCPIK3CDPIK3CBCHEK2
SCHEMBL24318037 0.97 ALOX5 (0.45) ALOX5PRKDCPIK3CDPIK3CBCHEK2
SCHEMBL24264112 0.96 PRKDC (0.43) ALOX5PRKDCPIK3CDPIK3CBCHEK2
SCHEMBL24264255 0.96 PRKDC (0.43) ALOX5PRKDCPIK3CDPIK3CBCHEK2
SCHEMBL25019311 0.96 PRKDC (0.44) ALOX5PRKDCPIK3CDPIK3CBCHEK2

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 2806/4885PIK3CD 4023/4885

“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.