SCHEMBL4552430

SCHEMBL4552430

C[C@H](C[C@H](C)n1c2ccccc2c2ccccc21)n1c2ccccc2c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
BACE1 P56817 2/20 0.42
ATM Q13315 2/20 0.42
TSHR P16473 2/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 2/20 0.39
CYP19A1 P11511 1/20 0.39
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DNM1 Q05193 2/20 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
SCHEMBL20841225 0.90 GPR3 (0.41) GPR3CYP1A2CYP2C19BCHEACHE
SCHEMBL14164189 0.84 GPR3 (0.44) GPR3CYP1A2CYP2C19BCHEACHE
SCHEMBL18404644 0.84 GPR3 (0.44) GPR3CYP1A2CYP2C19BCHEACHE
SCHEMBL127116 0.84 GPR3 (0.44) GPR3CYP1A2CYP2C19BCHEACHE
SCHEMBL19982698 0.83 GPR3 (0.43) GPR3CYP1A2CYP2C19BCHEACHE
SCHEMBL18258637 0.83 BACE1 (0.44) GPR3CYP1A2CYP2C19BCHEACHE
SCHEMBL16984870 0.83 BACE1 (0.44) GPR3CYP1A2CYP2C19BCHEACHE
SCHEMBL16786129 0.82 TSHR (0.36) GPR3CYP1A2CYP2C19BCHEACHE
SCHEMBL13772400 0.81 CNR1 (0.43) GPR3CYP1A2CYP2C19BCHEACHE
SCHEMBL29780042 0.78 BCHE (0.59) GPR3CYP1A2CYP2C19BCHEACHE

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-8779277-B2 Light energy conversion material KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2014-07-15 US claimed
US-8247680-B2 Light energy conversion material KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2012-08-21 US claimed
US-20120181163-A1 LIGHT ENERGY CONVERSION MATERIAL KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2012-07-19 US claimed
US-8779277-B2 Light energy conversion material KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2014-07-15 US disclosed
US-8247680-B2 Light energy conversion material KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2012-08-21 US disclosed
US-20120181163-A1 LIGHT ENERGY CONVERSION MATERIAL KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2012-07-19 US disclosed
EP-1900429-B1 Light energy conversion material TOYOTA CHUO KENKYUSHO KK (JP) 2009-05-27 EP disclosed
EP-1900429-A1 Light energy conversion material Kabushiki Kaisha Toyota Chuo Kenkyusho (JP) 2008-03-19 EP disclosed
US-20080057420-A1 Silica porous material including an electron donor in skeleton; and an electron acceptor; efficiency, durability KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2008-03-06 US disclosed