SCHEMBL9100503

SCHEMBL9100503

COc1ccc(C(=O)O)c2c(C(=O)O)ccc(OC)c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
MAPT P10636 3/20 0.58
TDP1 Q9NUW8 2/20 0.58
ALDH1A1 P00352 3/20 0.53
CDC25B P30305 2/20 0.50
HTT P42858 3/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KDM4E B2RXH2 5/20 0.48
HPGD P15428 2/20 0.48
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
TPMT P51580 1/20 0.48

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
SCHEMBL4587611 0.86 ALDH1A1 (0.53) CYP1A2MAPTTDP1ALDH1A1CDC25B
SCHEMBL27863080 0.80 CDC25B (0.61) MAPTTDP1ALDH1A1CDC25BHTT
SCHEMBL10928876 0.79 MAPT (0.54) CYP1A2MAPTTDP1ALDH1A1HTT
SCHEMBL22122 0.78 CYP1A2 (1.00) CYP1A2MAPTALDH1A1CDC25BSMN1; SMN2
SCHEMBL29417502 0.78 CYP1A2 (1.00) CYP1A2MAPTALDH1A1CDC25BSMN1; SMN2
SCHEMBL732725 0.77 MAPT (0.61) MAPTTDP1ALDH1A1CDC25BHTT
SCHEMBL3189109 0.77 MAPT (0.72) MAPTTDP1ALDH1A1CDC25BHTT
SCHEMBL102827 0.77 MAPT (0.72) MAPTTDP1ALDH1A1CDC25BHTT
SCHEMBL29378830 0.77 MAPT (0.72) MAPTTDP1ALDH1A1CDC25BHTT
SCHEMBL23152130 0.76 HPGD (0.58) TDP1ALDH1A1CDC25BHTTKDM4E

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
JP-2255789-A None JP disclosed
CN-107011271-A Azepine pyrene and its electronic device for electronic application UDC 爱尔兰有限责任公司 2017-08-04 CN disclosed
CN-103641835-B AZapyrenes For Electronic Applications UDC 爱尔兰有限责任公司 2017-05-24 CN disclosed
CN-102099435-B Azapyrenes for electronic applications BASF SE 2014-09-24 CN disclosed
CN-103641835-A AZapyrenes For Electronic Applications BASF SE 2014-03-19 CN disclosed
EP-2313472-B1 AZAPYRENES FOR ELECTRONIC APPLICATIONS BASF SE (DE) 2012-08-15 EP disclosed
US-8193528-B2 Azapyrenes for electronic applications BASF SE (DE) 2012-06-05 US disclosed
CN-102099435-A Azapyrenes for electronic applications BASF SE 2011-06-15 CN disclosed
JP-H02255789-A ORGANIC ELECTRIC FIELD LUMINESCENT ELEMENT ASAHI CHEM IND CO LTD 1990-10-16 JP disclosed