SCHEMBL3263126

SCHEMBL3263126

C=CCc1cccc(-c2ccccc2)c1[O]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.50
GABRB2 P47870 2/20 0.50
AKR1B1 P15121 1/20 0.43
AURKA O14965 1/20 0.42
DAPK3 O43293 1/20 0.42
MAP4K4 O95819 1/20 0.42
RET P07949 1/20 0.42
IGF1R P08069 1/20 0.42
MET P08581 1/20 0.42
PIM1 P11309 1/20 0.42
LTK P29376 1/20 0.42
KDR P35968 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
CDK8 P49336 1/20 0.42
CLK2 P49760 1/20 0.42
CDK9 P50750 1/20 0.42
CDK5 Q00535 1/20 0.42
ACVR1 Q04771 1/20 0.42
PTK2 Q05397 1/20 0.42

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
SCHEMBL170787 0.83 DPP4 (0.54) GABRA1GABRB2AKR1B1AURKADAPK3
SCHEMBL6537109 0.83 GABRA1 (0.59) GABRA1GABRB2AKR1B1AURKADAPK3
SCHEMBL28267634 0.81 GABRA1 (0.48) GABRA1GABRB2AKR1B1AURKADAPK3
SCHEMBL28758160 0.81 DPP4 (0.52) GABRA1GABRB2AKR1B1AURKADAPK3
SCHEMBL27684898 0.81 DPP4 (0.52) GABRA1GABRB2AKR1B1AURKADAPK3
Water SCHEMBL821345 0.81 DPP4 (0.52) GABRA1GABRB2AKR1B1AURKADAPK3
Biphenyl SCHEMBL7928631 0.81 DPP4 (0.52) GABRA1GABRB2AKR1B1AURKADAPK3
SCHEMBL4456728 0.80 GABRA1 (0.54) GABRA1GABRB2AKR1B1KMT2AGAA
SCHEMBL3125961 0.80 GABRA1 (0.52) GABRA1GABRB2AKR1B1AURKADAPK3
SCHEMBL2362467 0.80 GABRA1 (0.52) GABRA1GABRB2AKR1B1AURKADAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100034964-A1 Method of increasing beta-phase content in a conjugated polymer useful as a light emitting layer in a polymer light emitting diode NATIONAL TSING HUA UNIVERSITY (TW) 2010-02-11 US claimed
US-6693158-B2 ORGANONITROGEN, ORGANOOXYGEN POLYMER NATIONAL SCIENCE COUNCIL (TW) 2004-02-17 US claimed
US-20030109656-A1 Electroluminiscent conjugated polymers modified with high eletronegative heterocyclic moieties and their applications in polymeric light emitting diodes NATIONAL SCIENCE COUNCIL TAIWAN CORPORATION (TW) 2003-06-12 US claimed
US-6495644-B1 CONTAINING HETEROCYCLIC GROUPS SUCH AS 1,3,4-OXADIAZOLE-DIYL, 1,3,4-THIADIAZOLE-DIYL AND 1,2,4-TRIAZOLE-DIYL; HIGH EXTERNAL QUANTUM EFFICIENCY NATIONAL SCIENCE COUNCIL (TW) 2002-12-17 US claimed
US-8287941-B2 Method of increasing beta-phase content in a conjugated polymer useful as a light emitting layer in a polymer light emitting diode NATIONAL TSING HUA UNIVERSITY (TW) 2012-10-16 US disclosed
US-20100034964-A1 Method of increasing beta-phase content in a conjugated polymer useful as a light emitting layer in a polymer light emitting diode NATIONAL TSING HUA UNIVERSITY (TW) 2010-02-11 US disclosed
US-6693158-B2 ORGANONITROGEN, ORGANOOXYGEN POLYMER NATIONAL SCIENCE COUNCIL (TW) 2004-02-17 US disclosed
US-20030109656-A1 Electroluminiscent conjugated polymers modified with high eletronegative heterocyclic moieties and their applications in polymeric light emitting diodes NATIONAL SCIENCE COUNCIL TAIWAN CORPORATION (TW) 2003-06-12 US disclosed
US-6495644-B1 CONTAINING HETEROCYCLIC GROUPS SUCH AS 1,3,4-OXADIAZOLE-DIYL, 1,3,4-THIADIAZOLE-DIYL AND 1,2,4-TRIAZOLE-DIYL; HIGH EXTERNAL QUANTUM EFFICIENCY NATIONAL SCIENCE COUNCIL (TW) 2002-12-17 US disclosed