SCHEMBL5589552

SCHEMBL5589552

Cc1cccc(C)c1N=Cc1cnccn1.[Ni]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTH P32929 1/20 0.39
NR4A1 P22736 1/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAOA P21397 2/20 0.34
GAA P10253 2/20 0.34
CYP19A1 P11511 1/20 0.34
CYP11B2 P19099 1/20 0.34
CYP2A6 P11509 1/20 0.33
MAOB P27338 1/20 0.32
TRPA1 O75762 1/20 0.32
NPC1 O15118 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSP90AA1 P07900 1/20 0.31
NOTUM Q6P988 1/20 0.30
CYP17A1 P05093 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL5587762 0.98 CTH (0.40) CTHNR4A1RAB9AKMT2AKDM4E
SCHEMBL5587760 0.98 CTH (0.40) CTHNR4A1RAB9AKMT2AKDM4E
SCHEMBL5589474 0.87 CTH (0.34) CTHRAB9AKMT2AGAACYP1A2
SCHEMBL17499487 0.86 KDM4E (0.40) CTHRAB9AKMT2AKDM4EGAA
SCHEMBL17499484 0.86 KDM4E (0.40) CTHRAB9AKMT2AKDM4EGAA
SCHEMBL5588679 0.86 CTH (0.35) CTHNR4A1RAB9AKMT2AGAA
SCHEMBL5589410 0.84 CTH (0.39) CTHNR4A1RAB9AKMT2ANPSR1
SCHEMBL16097296 0.83 CTH (0.33) CTHKMT2AKDM4ENOTUM
SCHEMBL16097295 0.83 CTH (0.33) CTHKMT2AKDM4ENOTUM
SCHEMBL17499104 0.82 CTH (0.33) CTHKMT2AKDM4ENOTUM

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 2578/4885NR4A1 557/4885RAB9A 4633/4885

“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.