SCHEMBL21113668

SCHEMBL21113668

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 1/20 0.34
ACMSD Q8TDX5 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
FAAH O00519 1/20 0.34
SCN5A Q14524 1/20 0.33
SCN2A Q99250 1/20 0.33
KCNH2 Q12809 1/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ATM Q13315 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
SCHEMBL21113656 0.94 ALDH1A1 (0.38) CYP1A2SMN1; SMN2NPC1RAB9AHTT
SCHEMBL14820665 0.89 NPC1 (0.40) CYP1A2SMN1; SMN2NPC1RAB9AHTT
SCHEMBL21113640 0.88 CYP1A2 (0.40) CYP1A2SMN1; SMN2NPC1RAB9AHTT
SCHEMBL21113647 0.86 ALDH1A1 (0.41) CYP1A2SMN1; SMN2NPC1RAB9AHTT
SCHEMBL21113645 0.85 CYP1A2 (0.38) CYP1A2SMN1; SMN2NPC1RAB9AHTT
SCHEMBL18543908 0.84 KCNH2 (0.43) CYP1A2SMN1; SMN2NPC1RAB9AHTT
SCHEMBL24404248 0.84 TSHR (0.40) CYP1A2SMN1; SMN2NPC1RAB9AHTT
SCHEMBL21113680 0.84 TSHR (0.40) CYP1A2SMN1; SMN2NPC1RAB9AHTT
SCHEMBL18543916 0.83 KCNH2 (0.46) CYP1A2SMN1; SMN2NPC1RAB9AHTT
SCHEMBL12338693 0.83 KCNH2 (0.46) CYP1A2SMN1; SMN2NPC1RAB9AHTT

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