SCHEMBL9010052

SCHEMBL9010052

CC(C)(C)c1[c]c2[nH]c3ccccc3c2cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 10/20 0.49
ALDH1A1 P00352 2/20 0.43
GPR3 P46089 2/20 0.43
HSD17B10 Q99714 2/20 0.43
AHR P35869 2/20 0.38
HPGD P15428 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
TNKS O95271 1/20 0.36
LMNA P02545 1/20 0.36
PARP1 P09874 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
PARP15 Q460N3 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36

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
SCHEMBL5504024 0.80 KIF11 (0.54) KIF11ALDH1A1HSD17B10HPGD
SCHEMBL1426545 0.77 KIF11 (0.48) KIF11ALDH1A1GPR3HSD17B10AHR
SCHEMBL10890967 0.73 ALDH1A1 (0.48) KIF11ALDH1A1GPR3HSD17B10AHR
SCHEMBL8482653 0.73 ALDH1A1 (0.48) KIF11ALDH1A1GPR3HSD17B10AHR
SCHEMBL7953010 0.73 ALDH1A1 (0.48) KIF11ALDH1A1GPR3HSD17B10AHR
SCHEMBL23212272 0.73 ALDH1A1 (0.48) KIF11ALDH1A1GPR3HSD17B10AHR
SCHEMBL11597870 0.73 ALDH1A1 (0.48) KIF11ALDH1A1GPR3HSD17B10AHR
SCHEMBL6897737 0.72 ALDH1A1 (0.45) KIF11ALDH1A1GPR3HSD17B10AHR
SCHEMBL5216846 0.72 KIF11 (0.49) KIF11ALDH1A1GPR3HSD17B10AHR
SCHEMBL23014692 0.72 KIF11 (0.49) KIF11ALDH1A1GPR3HSD17B10AHR

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
CN-117700432-A Organic compound and organic electroluminescent device containing same 清华大学 2024-03-15 CN claimed
CN-117700432-A Organic compound and organic electroluminescent device containing same 清华大学 2024-03-15 CN disclosed
CN-113651836-B Organic compound and organic electroluminescent device containing same 清华大学 2023-05-12 CN disclosed
EP-3959215-A1 POLYCYCLIC COMPOUND AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE POLYCYCLIC COMPOUND OR THE COMPOSITION Idemitsu Kosan Co., Ltd. (JP) 2022-03-02 EP disclosed
WO-2020217229-A1 POLYCYCLIC COMPOUND AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE POLYCYCLIC COMPOUND OR THE COMPOSITION IDEMITSU KOSAN CO., LTD. (JP) 2020-10-29 WO disclosed
EP-0741145-A1 Olefin polymerization catalyst and process for producing polyolefin using the same SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-11-06 EP disclosed