SCHEMBL30782014

SCHEMBL30782014

COc1cc2[nH]c3ccccc3c2cc1OC.Cc1cc(C(=O)O)ccc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.58
MAPT P10636 4/20 0.58
ATM Q13315 1/20 0.58
KIF11 P52732 2/20 0.49
CTSV O60911 1/20 0.46
CTSL P07711 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HCRTR1 O43613 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
TPMT P51580 1/20 0.44
CA9 Q16790 1/20 0.44

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
Terephthalic Acid SCHEMBL29145293 0.89 KDM4E (0.60) KDM4EMAPTATMKIF11CTSV
Carbazole SCHEMBL30782017 0.87 PARP1 (0.51) KDM4EMAPTKIF11MEN1KMT2A
SCHEMBL29145269 0.83 KIF11 (0.65) KDM4EMAPTATMKIF11CTSV
SCHEMBL30782018 0.82 PARP1 (0.45) KDM4EMAPTATMKIF11MEN1
SCHEMBL30782015 0.81 KIF11 (0.52) KDM4EMAPTATMKIF11MEN1
SCHEMBL30782016 0.80 PARP1 (0.43) KDM4EMAPTATMKIF11MEN1
SCHEMBL7983972 0.79 KDM4E (0.77) KDM4EMAPTATMKIF11CTSV
SCHEMBL4143973 0.74 MAPT (1.00) KDM4EMAPTATMKIF11CTSV
SCHEMBL29823892 0.74 KDM4E (0.60) KDM4EMAPTKIF11MEN1KMT2A
SCHEMBL70283 0.74 KDM4E (0.60) KDM4EMAPTKIF11MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117477036-B Additive, electrolyte and lithium ion battery 蓝固(淄博)新能源科技有限公司 2024-03-05 CN claimed
CN-117477036-A Additive, electrolyte and lithium ion battery 蓝固(淄博)新能源科技有限公司 2024-01-30 CN claimed
CN-117477036-B Additive, electrolyte and lithium ion battery 蓝固(淄博)新能源科技有限公司 2024-03-05 CN disclosed
CN-117477036-A Additive, electrolyte and lithium ion battery 蓝固(淄博)新能源科技有限公司 2024-01-30 CN disclosed