SCHEMBL12140657

SCHEMBL12140657

CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccccc4)cn3)cc21

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
PDK2 Q15119 13/20 0.42
HPGDS O60760 1/20 0.37
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL13388812 0.95 HSD17B1 (0.46) HSD17B1HSD17B2PDK2HPGDSCYP11B1
SCHEMBL6236658 0.94 HSD17B1 (0.45) HSD17B1HSD17B2PDK2
SCHEMBL19794435 0.90 PDK2 (0.41) HSD17B1HSD17B2PDK2HPGDS
SCHEMBL26161138 0.90 PDK2 (0.37) HSD17B1HSD17B2PDK2HPGDS
SCHEMBL21125844 0.89 HSD17B1 (0.44) HSD17B1HSD17B2PDK2HPGDS
SCHEMBL22037501 0.88 MEN1 (0.41) PDK2ALDH1A1NPSR1
SCHEMBL19794372 0.88 PDK2 (0.44) HSD17B1HSD17B2PDK2
SCHEMBL22037979 0.88 MEN1 (0.40) HSD17B1HSD17B2PDK2HPGDSALDH1A1
SCHEMBL20176477 0.88 PDK2 (0.37) HSD17B1HSD17B2PDK2HPGDS
SCHEMBL20023679 0.87 CYP11B1 (0.36) HSD17B1HSD17B2PDK2HPGDSCYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067099-B2 Phosphorescent material, and organic electroluminescent device and image display apparatus using same CANON KABUSHIKI KAISHA (JP) 2011-11-29 US disclosed
US-8067099-B2 Phosphorescent material, and organic electroluminescent device and image display apparatus using same CANON KABUSHIKI KAISHA (JP) 2011-11-29 US disclosed
US-20080299414-A1 PHOSPHORESCENT MATERIAL, AND ORGANIC ELECTROLUMINESCENT DEVICE AND IMAGE DISPLAY APPARATUS USING SAME CANON KABUSHIKI KAISHA (JP) 2008-12-04 US disclosed
US-20080299414-A1 PHOSPHORESCENT MATERIAL, AND ORGANIC ELECTROLUMINESCENT DEVICE AND IMAGE DISPLAY APPARATUS USING SAME CANON KABUSHIKI KAISHA (JP) 2008-12-04 US disclosed