SCHEMBL808127

SCHEMBL808127

Bc1ccc2c(c1)-c1ccccc1C2(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 11/20 0.39
MLNR O43193 1/20 0.38
NR1I2 O75469 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRB1 P08588 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRM3 P20309 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
OPRM1 P35372 1/20 0.38

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
SCHEMBL808141 0.88 HTR2A (0.38) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL18294197 0.83 KDM4E (0.45) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL19658521 0.83 KDM4E (0.45) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL20618808 0.83 ALDH1A1 (0.31) PDK2
SCHEMBL17283710 0.83 TYMS (0.40)
SCHEMBL13191499 0.82 ALDH1A1 (0.41) KCNH2PGRKDM4EMEN1LMNA
SCHEMBL17901965 0.82
SCHEMBL21547796 0.82 PDK2 (0.41) PDK2
SCHEMBL17343164 0.82 PDK2 (0.41) PDK2
SCHEMBL5062909 0.81 HTR2A (0.43) PDK2MLNRNR1I2CHRM2ADRB1

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
WO-2023096210-A1 COMPOUND FOR ORGANIC ELECTRICAL ELEMENT, ORGANIC ELECTRICAL ELEMENT USING SAME AND ELECTRONIC DEVICE THEREFOR 덕산네오룩스 주식회사 2023-06-01 WO disclosed
WO-2021150048-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2021-07-29 WO disclosed
EP-3722294-A1 COMPOUND FOR ORGANIC ELECTRIC DEVICE, ORGANIC ELECTRIC DEVICE USING SAME, AND ELECTRONIC DEVICE THEREOF Duk San Neolux Co., Ltd. (KR) 2020-10-14 EP disclosed
WO-2019192954-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-10-10 WO disclosed
WO-2017016667-A1 COMPOUNDS HAVING FLUORENE STRUCTURES MERCK PATENT GMBH (DE) 2017-02-02 WO disclosed
WO-2016111515-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 주식회사 두산 2016-07-14 WO disclosed
WO-2016105141-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 2016-06-30 WO disclosed
EP-2638028-B1 THIOXANTHONE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT HAVING THE SAME CANON KK (JP) 2016-06-08 EP disclosed
WO-2012034627-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 WO disclosed