SCHEMBL12433609

SCHEMBL12433609

Cc1cccc2c1ccc1oc3ccc4c(C)cccc4c3c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.59
CYP2A6 P11509 3/20 0.59
CES1 P23141 4/20 0.49
ALDH1A1 P00352 4/20 0.44
ACHE P22303 2/20 0.42
BCHE P06276 1/20 0.42
ESR2 Q92731 2/20 0.41
TDP1 Q9NUW8 4/20 0.40
HPGD P15428 4/20 0.40
HSD17B10 Q99714 3/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TYMS P04818 1/20 0.40
CES2 O00748 2/20 0.38
KDM1A O60341 2/20 0.38
MAPT P10636 2/20 0.38
PTPN6 P29350 2/20 0.38
BLM P54132 2/20 0.38
PTPN11 Q06124 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
SCHEMBL18327967 0.83 CYP1A2 (0.47) CYP1A2CYP2A6CES1ALDH1A1TDP1
SCHEMBL18327961 0.83 CYP1A2 (0.45) CYP1A2CYP2A6CES1ALDH1A1ACHE
SCHEMBL20346618 0.82 MAOA (0.56) CES1ALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL29314362 0.79 CES1 (0.55) CYP1A2CYP2A6CES1ALDH1A1ACHE
SCHEMBL18327981 0.78 CYP1A2 (0.43) CYP1A2CYP2A6CES1ALDH1A1ACHE
SCHEMBL12433584 0.77 CYP1A2 (0.46) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL599477 0.77 CYP1A2 (0.87) CYP1A2CYP2A6CES1ALDH1A1ACHE
SCHEMBL6705797 0.77 CYP1A2 (0.87) CYP1A2CYP2A6CES1ALDH1A1ACHE
SCHEMBL20067225 0.77 MAOA (0.50) CYP1A2ALDH1A1TDP1HPGDHSD17B10
SCHEMBL424167 0.77 CYP1A2 (1.00) CYP1A2CYP2A6ALDH1A1ACHETDP1

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
US-7982212-B2 Copolymer and polymer light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-19 US disclosed
US-7982212-B2 Copolymer and polymer light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-19 US disclosed
US-20100207516-A1 POLYMER COMPOUND AND POLYMER LIGHT-EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-08-19 US disclosed
US-20100207516-A1 POLYMER COMPOUND AND POLYMER LIGHT-EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-08-19 US disclosed
US-20100176376-A1 COPOLYMER AND POLYMER LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY , LIMITED (JP) 2010-07-15 US disclosed
US-20100176376-A1 COPOLYMER AND POLYMER LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY , LIMITED (JP) 2010-07-15 US disclosed