SCHEMBL21113645

SCHEMBL21113645

CCCC/N=C(\CC)c1cccc(C(=O)CC)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.38
KDM4E B2RXH2 3/20 0.34
ALOX15 P16050 2/20 0.34
TSHR P16473 2/20 0.34
ACMSD Q8TDX5 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SCN5A Q14524 1/20 0.33
SCN2A Q99250 1/20 0.33
MAPT P10636 3/20 0.33
HTT P42858 3/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
ATM Q13315 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
USP2 O75604 1/20 0.32
ALOX12 P18054 1/20 0.32

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
SCHEMBL21113642 0.87 GABRA1 (0.38) CYP1A2KDM4EALOX15TSHRMAPT
SCHEMBL21113698 0.86 HTT (0.38) CYP1A2KDM4EALOX15MAPTHTT
SCHEMBL21113668 0.85 CYP1A2 (0.38) CYP1A2KDM4EALOX15TSHRACMSD
SCHEMBL21113656 0.80 ALDH1A1 (0.38) CYP1A2TSHRMAPTHTTKMT2A
SCHEMBL1596880 0.79 CYP1A2 (0.55) CYP1A2KDM4EALOX15TSHRACMSD
SCHEMBL21113632 0.75 CYP1A2 (0.39) CYP1A2KDM4EALOX15TSHRACMSD
SCHEMBL21113649 0.73 CYP1A2 (0.41) CYP1A2KDM4EALOX15TSHRACMSD
SCHEMBL21113640 0.73 CYP1A2 (0.40) CYP1A2KDM4EALOX15TSHRACMSD
SCHEMBL14820665 0.73 NPC1 (0.40) CYP1A2KDM4EALOX15TSHRACMSD
SCHEMBL21113669 0.72 KCNH2 (0.33) CYP1A2MAPTHTTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3517555-B1 CATALYST COMPONENT FOR USE IN OLEFIN POLYMERIZATION, CATALYST, AND APPLICATIONS THEREOF CHINA PETROLEUM & CHEM CORP (CN) 2024-11-27 EP claimed
EP-3517555-A1 CATALYST COMPONENT FOR USE IN OLEFIN POLYMERIZATION, CATALYST, AND APPLICATIONS THEREOF China Petroleum&Chemical Corporation (CN) 2019-07-31 EP claimed
US-20190211119-A1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION, CATALYST, AND USE THEREOF BEIJING RESEARCH INSTITUTE OF CHEMICAL INDUSTRY, CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2019-07-11 US claimed
EP-3517555-B1 CATALYST COMPONENT FOR USE IN OLEFIN POLYMERIZATION, CATALYST, AND APPLICATIONS THEREOF CHINA PETROLEUM & CHEM CORP (CN) 2024-11-27 EP disclosed
US-11325994-B2 Catalyst component for olefin polymerization, catalyst, and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2022-05-10 US disclosed
US-11325994-B2 Catalyst component for olefin polymerization, catalyst, and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2022-05-10 US disclosed
EP-3517555-A1 CATALYST COMPONENT FOR USE IN OLEFIN POLYMERIZATION, CATALYST, AND APPLICATIONS THEREOF China Petroleum&Chemical Corporation (CN) 2019-07-31 EP disclosed
US-20190211119-A1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION, CATALYST, AND USE THEREOF BEIJING RESEARCH INSTITUTE OF CHEMICAL INDUSTRY, CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2019-07-11 US disclosed