SCHEMBL3681402

SCHEMBL3681402

CC(C)(C)C(=N)c1cc2ccccc2cc1-c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
PNMT P11086 1/20 0.38
HTR7 P34969 4/20 0.37
HTR2B P41595 3/20 0.37
TP53 P04637 3/20 0.34
TSHR P16473 3/20 0.34
MAPK1 P28482 3/20 0.34
HSD17B10 Q99714 3/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
PKM P14618 2/20 0.34
CYP2C19 P33261 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HSP90AA1 P07900 2/20 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
SCHEMBL3679002 0.84 HTR2B (0.44) NPC1RAB9APNMTHTR7HTR2B
SCHEMBL3676088 0.81 PNMT (0.38) NPC1RAB9APNMTHTR7HTR2B
SCHEMBL3679790 0.79 NPC1 (0.36) NPC1RAB9APNMTHTR7HTR2B
SCHEMBL3681693 0.79 PNMT (0.38) NPC1RAB9APNMTHTR7HTR2B
SCHEMBL3684312 0.78 PNMT (0.37) NPC1RAB9APNMTHTR7HTR2B
SCHEMBL3676091 0.78 NPC1 (0.40) NPC1RAB9APNMTHTR7HTR2B
SCHEMBL3677255 0.76 PNMT (0.35) NPC1RAB9APNMTHTR7HTR2B
SCHEMBL3205078 0.72 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL524602 0.71 PNMT (0.63) NPC1RAB9APNMTHTR7HTR2B
SCHEMBL30103334 0.71 PNMT (0.63) NPC1RAB9APNMTHTR7HTR2B

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 NPC1 2173/4885RAB9A 1759/4885PNMT 1804/4885
US-20100048933-A1 TRANSITION METAL COMPLEX, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME C1R, C1S, AP1M1 NPC1 2173/4885RAB9A 1759/4885PNMT 1804/4885

“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.