SCHEMBL2915443

SCHEMBL2915443

[Li]C1C=C(N2CCCC2)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 2/20 0.41
TDP2 O95551 1/20 0.41
NSD2 O96028 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
TSHR P16473 2/20 0.35
MAPK1 P28482 3/20 0.34
EGFR P00533 1/20 0.34
RAF1 P04049 1/20 0.34
ALOX12 P18054 1/20 0.34
MAP2K1 Q02750 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DNMT1 P26358 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
GFER P55789 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
SCHEMBL6909170 0.98 APAF1 (0.44) APAF1TDP2NSD2HKDC1ALDH1A1
SCHEMBL23982311 0.80 DRD2 (0.44) APAF1TDP2NSD2HKDC1ALDH1A1
SCHEMBL27461952 0.80 APAF1 (0.40) APAF1TDP2NSD2HKDC1ALDH1A1
SCHEMBL27565464 0.76 DRD2 (0.38) APAF1TDP2NSD2HKDC1ALDH1A1
Hydrochloric Acid SCHEMBL7633238 0.76 APAF1 (0.37) APAF1TDP2NSD2HKDC1ALDH1A1
SCHEMBL27450517 0.75 DRD2 (0.38) APAF1TDP2NSD2HKDC1ALDH1A1
SCHEMBL7633241 0.75 APAF1 (0.36) APAF1TDP2NSD2HKDC1ALDH1A1
SCHEMBL27535711 0.75 APAF1 (0.40) APAF1TDP2NSD2HKDC1ALDH1A1
SCHEMBL6910737 0.74 DRD2 (0.40) APAF1TDP2NSD2HKDC1ALDH1A1
SCHEMBL31164280 0.73 APAF1 (0.38) APAF1TDP2NSD2HKDC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1475383-B1 TRANSITION METAL COMPLEXES, LIGANDS, POLYMERIZATION CATALYSTS FOR OLEFINS, AND PROCESS FOR PRODUCTION OF OLEFIN POLYMERS SUMITOMO CHEMICAL CO (JP) 2010-09-08 EP disclosed
US-7241927-B2 Transition metal complexes, ligands, catalysts for olefin polymerization, and process for production of olefin polymers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-07-10 US disclosed
US-7141690-B2 Transition metal complexes, ligands, polymerization catalysts for olefins, and process for production of olefin polymers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-11-28 US disclosed
US-20060111525-A1 Transition metal complexes, ligands, catalysts for olefin polymerization, and process for production of olefin polymers HANAOKA HIDENORI 2006-05-25 US disclosed
US-20050154158-A1 Transition metal complexes, ligands, polymerization catalysts for olefins, and process for production of olefin polymers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-07-14 US disclosed
EP-1475383-A1 TRANSITION METAL COMPLEXES, LIGANDS, POLYMERIZATION CATALYSTS FOR OLEFINS, AND PROCESS FOR PRODUCTION OF OLEFIN POLYMERS Sumitomo Chemical Company, Limited (JP) 2004-11-10 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050154158-A1 Transition metal complexes, ligands, polymerization catalysts for olefins, and process for production of olefin polymers PYM1, OR10J3, AP1M1 APAF1 3121/4885TDP2 4477/4885NSD2 2571/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.