SCHEMBL20398581

SCHEMBL20398581

CC(=O)Oc1c2ccc(C)cc2c(OC(C)=O)c2cc(C)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.53
KDM4E B2RXH2 5/20 0.50
HSD17B10 Q99714 3/20 0.50
GAA P10253 3/20 0.50
HTT P42858 2/20 0.50
LMNA P02545 2/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BACE1 P56817 1/20 0.40
LDHA P00338 1/20 0.40
LDHB P07195 1/20 0.40
GLA P06280 2/20 0.39
PREP P48147 2/20 0.38
CELA1 Q9UNI1 1/20 0.38
TOP1 P11387 1/20 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
SCHEMBL20398612 1.00 ABCB11 (0.53) ABCB11KDM4EHSD17B10GAAHTT
SCHEMBL30434152 1.00 ABCB11 (0.53) ABCB11KDM4EHSD17B10GAAHTT
SCHEMBL29372682 0.94 HTT (0.58) ABCB11KDM4EHSD17B10GAAHTT
SCHEMBL20398467 0.94 HTT (0.58) ABCB11KDM4EHSD17B10GAAHTT
SCHEMBL9644167 0.89 ABCB11 (0.69) ABCB11KDM4EHSD17B10GAAHTT
SCHEMBL9627547 0.85 ABCB11 (0.59) ABCB11KDM4EHSD17B10GAAHTT
SCHEMBL10524981 0.84 KDM4E (0.43) ABCB11KDM4EHSD17B10GAAHTT
SCHEMBL31081033 0.81 HPGD (0.42) ABCB11KDM4EHSD17B10MAPTHPGD
SCHEMBL31081242 0.81 HPGD (0.42) ABCB11KDM4EHSD17B10MAPTHPGD
SCHEMBL20398424 0.81 HPGD (0.42) ABCB11KDM4EHSD17B10MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12065521-B2 Compound having polycyclic aromatic skeleton, and endoperoxide compound of same KAWASAKI KASEI CHEMICALS LTD. (JP) 2024-08-20 US disclosed
EP-3716350-B1 ORGANIC ELECTRONIC DEVICE LG CHEMICAL LTD (KR) 2023-03-15 EP disclosed
US-20220127385-A1 COMPOUND HAVING POLYCYCLIC AROMATIC SKELETON, AND ENDOPEROXIDE COMPOUND OF SAME KAWASAKI KASEI CHEMICALS LTD. (JP) 2022-04-28 US disclosed
US-11283048-B2 Organic electronic device LG CHEM, LTD. (KR) 2022-03-22 US disclosed
US-11149103-B2 Photopolymerization sensitizer composition and photopolymerizable composition comprising the same KAWASAKI KASEI CHEMICALS LTD. (JP) 2021-10-19 US disclosed
CN-113454090-A Compound having polycyclic aromatic skeleton and endoperoxide compound thereof 川崎化成工业株式会社 2021-09-28 CN disclosed
CN-108026197-B Photopolymerizable composition 川崎化成工业株式会社 2020-11-17 CN disclosed
US-20200335726-A1 ORGANIC ELECTRONIC DEVICE LG CHEM, LTD. (KR) 2020-10-22 US disclosed
EP-3716350-A1 ORGANIC ELECTRONIC DEVICE LG Chem, Ltd. (KR) 2020-09-30 EP disclosed
CN-111492498-A Organic electronic device 株式会社LG化学 2020-08-04 CN disclosed
US-10570227-B2 Photopolymerizable composition KAWASAKI KASEI CHEMICALS LTD. (JP) 2020-02-25 US disclosed
US-20190119426-A1 PHOTOPOLYMERIZATION SENSITIZER COMPOSITION AND PHOTOPOLYMERIZABLE COMPOSITION COMPRISING THE SAME KAWASAKI KASEI CHEMICALS LTD. (JP) 2019-04-25 US disclosed
US-20180208689-A1 PHOTOPOLYMERIZABLE COMPOSITION KAWASAKI KASEI CHEMICALS LTD. (JP) 2018-07-26 US disclosed