SCHEMBL4572483

SCHEMBL4572483

CC1(C)c2ccc(-c3ccc4c(=O)c5ccccc5oc4c3)cc2-c2cc(-c3ccc4c(=O)c5ccccc5oc4c3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.55
MAOA P21397 5/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GLA P06280 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
PGAM1 P18669 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ATM Q13315 1/20 0.47
TTR P02766 2/20 0.47
CASP3 P42574 1/20 0.46

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
SCHEMBL4572519 0.96 CASP3 (0.52) HCRTR1MAOANPC1RAB9AKDM4E
SCHEMBL4572489 0.92 CASP3 (0.55) HCRTR1MAOANPC1RAB9AKDM4E
SCHEMBL12177668 0.89 HCRTR1 (0.46) HCRTR1MAOANPC1RAB9AKDM4E
SCHEMBL10055372 0.88 CASP3 (0.52) HCRTR1MAOANPC1RAB9AKDM4E
SCHEMBL12181790 0.88 CASP3 (0.52) HCRTR1MAOANPC1RAB9AKDM4E
SCHEMBL14733775 0.87 MEN1 (0.44) HCRTR1MAOANPC1RAB9AKDM4E
SCHEMBL4572528 0.87 CASP3 (0.51) HCRTR1MAOANPC1RAB9AKDM4E
SCHEMBL14701607 0.85 CASP3 (0.49) HCRTR1MAOANPC1RAB9AKDM4E
SCHEMBL12181813 0.83 HCRTR1 (0.46) HCRTR1MAOANPC1RAB9AKDM4E
SCHEMBL12181760 0.83 CASP3 (0.46) HCRTR1MAOANPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635561-B1 XANTHONE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CANON KK (JP) 2016-12-14 EP disclosed
US-9318712-B2 Xanthone compound and organic light-emitting device including the same CANON KABUSHIKI KAISHA (JP) 2016-04-19 US disclosed
US-9318712-B2 Xanthone compound and organic light-emitting device including the same CANON KABUSHIKI KAISHA (JP) 2016-04-19 US disclosed
US-20130214268-A1 XANTHONE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-08-22 US disclosed
US-20130214268-A1 XANTHONE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-08-22 US disclosed
WO-2012060234-A1 XANTHONE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-05-10 WO disclosed