SCHEMBL24039191

SCHEMBL24039191

c1ccc2c(c1)-c1ccccc1C1(c3ccccc3-2)c2ccccc2-c2c(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(-c4cccc5c4oc4ccccc45)n3)cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.41
CHEK2 O96017 1/20 0.33
PRKDC P78527 5/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
GGPS1 O95749 1/20 0.32
NPC1 O15118 2/20 0.32
MAPT P10636 2/20 0.32
AHR P35869 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTPRF P10586 2/20 0.32
PTPN2 P17706 2/20 0.32

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
SCHEMBL24039486 0.94 CHEK2 (0.36) ALOX5CHEK2HSP90AA1HSP90AB1NPC1
SCHEMBL24039668 0.94 ALOX5 (0.41) ALOX5PRKDCPIK3CDPIK3CBGGPS1
SCHEMBL15593054 0.93 CHEK2 (0.36) ALOX5CHEK2HSP90AA1HSP90AB1NPC1
SCHEMBL22059130 0.93 CHEK2 (0.36) ALOX5CHEK2HSP90AA1HSP90AB1NPC1
SCHEMBL24039651 0.92 CHEK2 (0.33) ALOX5CHEK2HSP90AA1HSP90AB1NPC1
SCHEMBL24039676 0.91 CHEK2 (0.34) ALOX5CHEK2HSP90AA1HSP90AB1NPC1
SCHEMBL24039750 0.91 ALOX5 (0.43) ALOX5CHEK2PRKDCPIK3CDPIK3CB
SCHEMBL24039570 0.91 ALOX5 (0.43) ALOX5CHEK2PRKDCPIK3CDPIK3CB
SCHEMBL24039381 0.91 ALOX5 (0.43) ALOX5CHEK2PRKDCPIK3CDPIK3CB
SCHEMBL24039487 0.91 AHR (0.36) ALOX5CHEK2PRKDCHSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11183641-B2 Composition for an organic electronic device and organic electronic device using the same SHANGHAI NICHEM FINE CHEMICAL CO., LTD. (CN) 2021-11-23 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-11183641-B2 Composition for an organic electronic device and organic electronic device using the same ORC3, ZYX, ESR1 ALOX5 2066/4885CHEK2 3624/4885PRKDC 3752/4885

“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.