SCHEMBL3674040

SCHEMBL3674040

CC(NC(C)(C)C)c1ccccc1-c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PNMT P11086 1/20 0.40
HTR2B P41595 2/20 0.36
HTR7 P34969 1/20 0.36
EGFR P00533 1/20 0.36
PGR P06401 1/20 0.32
CHRM2 P08172 2/20 0.32
CHRM1 P11229 2/20 0.32
RRM1 P23921 1/20 0.32
RRM2B Q7LG56 1/20 0.32
CYP17A1 P05093 1/20 0.32
SLC6A4 P31645 2/20 0.31
CACNA1F O60840 1/20 0.31
ADRA2B P18089 1/20 0.31
CHRM3 P20309 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
OPRK1 P41145 1/20 0.31
CACNA1D Q01668 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
SCHEMBL3676657 0.79 RAB9A (0.41) NPC1RAB9APNMTHTR2BHTR7
SCHEMBL3680029 0.77 NPC1 (0.37) NPC1RAB9APNMTHTR2BHTR7
SCHEMBL3676283 0.75 PNMT (0.39) NPC1RAB9APNMTHTR2BHTR7
SCHEMBL6675580 0.74 PNMT (0.49) NPC1RAB9APNMTHTR2BHTR7
SCHEMBL6672847 0.74 PNMT (0.49) NPC1RAB9APNMTHTR2BHTR7
SCHEMBL29617348 0.74 PNMT (0.49) NPC1RAB9APNMTHTR2BHTR7
Hydrochloric Acid SCHEMBL3741144 0.73 PNMT (0.37) NPC1RAB9APNMTHTR2BHTR7
SCHEMBL524602 0.73 PNMT (0.63) NPC1RAB9APNMTHTR2BHTR7
SCHEMBL30103334 0.73 PNMT (0.63) NPC1RAB9APNMTHTR2BHTR7
SCHEMBL6557930 0.73 PNMT (0.47) NPC1RAB9APNMTHTR2BHTR7

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.