SCHEMBL5589410

SCHEMBL5589410

Cc1cc(C)c(N=Cc2cnccn2)c(C)c1.[Ni]

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTH P32929 1/20 0.39
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 2/20 0.32
KMT2A Q03164 1/20 0.32
NR4A1 P22736 1/20 0.32
NPC1 O15118 1/20 0.31
MAOA P21397 1/20 0.31
HSP90AA1 P07900 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
SCHEMBL5588457 0.98 CTH (0.40) CTHMAPTHTTNPSR1GAA
SCHEMBL5588459 0.98 CTH (0.40) CTHMAPTHTTNPSR1GAA
SCHEMBL5589552 0.84 CTH (0.39) CTHNPSR1GAAALDH1A1RAB9A
SCHEMBL5587760 0.82 CTH (0.40) CTHNPSR1GAAALDH1A1RAB9A
SCHEMBL5587762 0.82 CTH (0.40) CTHNPSR1GAAALDH1A1RAB9A
SCHEMBL5588900 0.82 CTH (0.36) CTH
SCHEMBL5588823 0.80 CTH (0.37) CTH
SCHEMBL5587889 0.77 NR4A1 (0.59) MAPTHTTNPSR1GAAALDH1A1
SCHEMBL5590327 0.75 NR4A1 (0.61) MAPTHTTNPSR1GAAALDH1A1
SCHEMBL1683239 0.75 NR4A1 (0.61) MAPTHTTNPSR1GAAALDH1A1

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-7247687-B2 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-07-24 US disclosed
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 EP disclosed
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-03-02 US disclosed
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO 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-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 CTH 2578/4885MAPT 585/4885HTT 3594/4885

“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.