SCHEMBL3674178

SCHEMBL3674178

Cc1ccc(C(=N)c2ccccc2-c2cccc3c2Cc2ccccc2-3)c(C)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.42
HTR7 P34969 1/20 0.41
HTR2B P41595 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CYP3A4 P08684 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP2D6 P10635 2/20 0.35
CYP1A2 P05177 1/20 0.35
PGR P06401 1/20 0.34
HSP90AA1 P07900 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
EIF2AK1 Q9BQI3 1/20 0.31
TSHR P16473 2/20 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
SCHEMBL3684312 0.87 PNMT (0.37) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL3682819 0.86 PNMT (0.34) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL3682906 0.83 CYP1A2 (0.39) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL3676607 0.77 HTR7 (0.46) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL3212315 0.76 CYP1A2 (0.32) CYP3A4CYP2C19CYP2D6CYP1A2
SCHEMBL3679002 0.76 HTR2B (0.44) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL3213234 0.75 CYP3A4 (0.33) CYP3A4CYP2C19CYP2D6CYP1A2TSHR
SCHEMBL3205430 0.73 CYP3A4 (0.32) CYP3A4CYP2C19CYP2D6CYP1A2TSHR
Methyl Alcohol SCHEMBL14815698 0.73 NPC1 (0.46) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL1480277 0.72 PNMT (0.52) PNMTHTR7HTR2BNPC1RAB9A

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 1804/4885HTR7 3440/4885HTR2B 2177/4885
US-20100048933-A1 TRANSITION METAL COMPLEX, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME C1R, C1S, AP1M1 PNMT 1804/4885HTR7 3440/4885HTR2B 2177/4885

“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.