SCHEMBL5482776

SCHEMBL5482776

c1ccc2c(c1)cc1c3c4ccccc4cc4cccc(c43)c3c4ccccc4cc2c13

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.61
ERBB2 P04626 1/20 0.61
FYN P06241 1/20 0.61
MAOA P21397 1/20 0.61
ACHE P22303 1/20 0.61
AHR P35869 1/20 0.61
ALDH1A1 P00352 7/20 0.50
HSD17B10 Q99714 6/20 0.50
HIF1A Q16665 2/20 0.50
CYP1B1 Q16678 1/20 0.50
HPGD P15428 4/20 0.45
TSHR P16473 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 1/20 0.45
CASP1 P29466 1/20 0.45
THRB P10828 1/20 0.44
CES1 P23141 1/20 0.43
CYP2A6 P11509 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TRPM4 Q8TD43 1/20 0.40

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
SCHEMBL4850380 0.91 CYP1A2 (0.67) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4510652 0.91 CYP1A2 (0.64) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4848736 0.89 CYP1A2 (0.69) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4846372 0.89 ALDH1A1 (0.62) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4851871 0.89 ALDH1A1 (0.62) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4855399 0.84 CYP1A2 (0.69) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4852517 0.84 CYP1A2 (0.57) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL30622251 0.84 CYP1A2 (0.69) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL29539269 0.84 CYP1A2 (0.69) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL1262041 0.84 CYP1A2 (0.57) CYP1A2ERBB2FYNMAOAACHE

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
US-7238436-B2 Stabilized white-light-emitting OLED device EASTMAN KODAK COMPANY (US) 2007-07-03 US claimed
US-7175922-B2 Aggregate organic light emitting diode devices with improved operational stability EASTMAN KODAK COMPANY (US) 2007-02-13 US claimed
US-20050106415-A1 Aggregate organic light emitting diode devices with improved operational stability EASTMAN KODAK COMPANY 2005-05-19 US claimed
WO-2005043640-A2 A STABILIZED WHITE-LIGHT EMITTING OLED EASTMAN KODAK COMPANY (US) 2005-05-12 WO claimed
WO-2005040303-A1 AGGREGATE ORGANIC LIGHT EMITTING DIODE DEVICES EASTMAN KODAK COMPANY (US) 2005-05-06 WO claimed
US-20050089714-A1 Stabilized white-light-emitting OLED device EASTMAN KODAK COMPANY 2005-04-28 US claimed