SCHEMBL21113694

SCHEMBL21113694

CCC(=O)c1cccc(CC=Nc2c(C)cccc2C)n1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
RIPK1 Q13546 3/20 0.33
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
BRD4 O60885 1/20 0.33
MRGPRX4 Q96LA9 2/20 0.32
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
CASP1 P29466 1/20 0.31
HTT P42858 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL21113650 0.87 CYP1A2 (0.33) CYP1A2RIPK1CTNNB1WNT3ABRD4
SCHEMBL21113703 0.86 BRD4 (0.34) CYP1A2CTNNB1WNT3ABRD4MRGPRX4
SCHEMBL21114206 0.84 BRD4 (0.33) CYP1A2RIPK1BRD4
SCHEMBL21113631 0.83 BRD4 (0.39) CYP1A2RIPK1BRD4MRGPRX4KDM4E
SCHEMBL7053846 0.81 POLB (0.33) POLB
Hydrochloric Acid SCHEMBL16654018 0.78 POLB (0.31) POLBKDM4E
SCHEMBL21113702 0.78 ALDH1A1 (0.34) CYP1A2BRD4MRGPRX4MAPTHTT
SCHEMBL21113669 0.76 KCNH2 (0.33) CYP1A2RIPK1BRD4MAPTHTT
SCHEMBL21113657 0.74 KCNH2 (0.38) BRD4MAPTHTT
SCHEMBL18543986 0.73 BACE1 (0.33) KDM4EMAPTHSD17B10

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 7 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
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