SCHEMBL12433599

SCHEMBL12433599

Cc1ccc2c(c1)oc1cc(C)c3cc4ccccc4cc3c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP1A2 P05177 3/20 0.40
MAOB P27338 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
MAOA P21397 2/20 0.35
NPC1 O15118 2/20 0.35
TP53 P04637 2/20 0.34
POLB P06746 2/20 0.34
CDC25A P30304 1/20 0.34
CDC25C P30307 1/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 2/20 0.33
ELANE P08246 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL12433585 0.85 MAOA (0.41) CYP2A6TDP1CYP1A2MAOBALDH1A1
SCHEMBL13671892 0.85 CYP2A6 (0.41) CYP2A6TDP1CYP1A2MAOBALDH1A1
SCHEMBL13562105 0.83 CYP2A6 (0.46) CYP2A6TDP1CYP1A2MAOBALDH1A1
SCHEMBL12433589 0.80 CYP1A2 (0.41) CYP2A6CYP1A2ALDH1A1HPGDKMT2A
SCHEMBL10109876 0.80 CYP2A6 (0.48) CYP2A6TDP1CYP1A2MAOBALDH1A1
SCHEMBL10109875 0.79 L3MBTL1 (0.47) CYP2A6TDP1CYP1A2MAOBALDH1A1
SCHEMBL18810722 0.79 DYRK1A (0.42) CYP2A6TDP1CYP1A2ALDH1A1KMT2A
SCHEMBL11711426 0.76 CYP1A2 (0.47) CYP2A6CYP1A2MAOBALDH1A1HPGD
SCHEMBL13562170 0.76 HPRT1 (0.45) CYP2A6TDP1CYP1A2MAOBALDH1A1
SCHEMBL11992359 0.75 MAPT (0.41) TDP1CYP1A2ALDH1A1HPGDKMT2A

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