SCHEMBL3683729

SCHEMBL3683729

CCCCNCc1ccccc1-c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.48
SCN8A Q9UQD0 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CHRM2 P08172 5/20 0.39
CA12 O43570 4/20 0.37
CA2 P00918 4/20 0.37
CA9 Q16790 4/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
S1PR4 O95977 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
GRIN1 Q05586 3/20 0.36
GRIN2A Q12879 3/20 0.36
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36

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
SCHEMBL27816259 0.81 PNMT (0.54) PNMTNPC1RAB9ADRD2DRD4
SCHEMBL3684985 0.79 SLC2A1 (0.37) PNMTNPC1RAB9ATSHRS1PR4
Fluorene SCHEMBL28752902 0.78 SIGMAR1 (0.46) NPC1RAB9AKDM4ETSHRBCHE
SCHEMBL30463132 0.78 PNMT (0.51) PNMTNPC1RAB9ADRD2
SCHEMBL4994377 0.77 PNMT (0.66) PNMTNPC1RAB9ACA12CA2
SCHEMBL1482536 0.77 PNMT (0.61) PNMTNPC1RAB9ADRD2DRD4
SCHEMBL313686 0.76 PNMT (0.60) PNMTNPC1RAB9ADRD2DRD4
SCHEMBL3682590 0.75 PNMT (0.51) PNMTNPC1RAB9ACA2KDM4E
SCHEMBL29068479 0.75 NPC1 (0.52) PNMTNPC1RAB9ADRD2DRD4
SCHEMBL5823386 0.75 PNMT (0.58) PNMTNPC1RAB9ADRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732643-B2 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-08 US disclosed
US-20100048933-A1 TRANSITION METAL COMPLEX, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME HANAOKA HIDENORI 2010-02-25 US disclosed
US-20090054607-A1 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same HANAOKA HIDENORI 2009-02-26 US disclosed
US-20040242410-A1 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-12-02 US disclosed
EP-1426379-A1 TRANSITION METAL COMPLEX,CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME Sumitomo Chemical Company, Limited (JP) 2004-06-09 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 (2 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-20090054607-A1 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same C1R, C1S, AP1M1 PNMT 1804/4885SCN8A 4311/4885NPC1 2173/4885
US-20100048933-A1 TRANSITION METAL COMPLEX, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME C1R, C1S, AP1M1 PNMT 1804/4885SCN8A 4311/4885NPC1 2173/4885

“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.