SCHEMBL5589232

SCHEMBL5589232

CC(=Nc1cc(C(C)(C)C)ccc1C(C)(C)C)c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.51
KDM4E B2RXH2 2/20 0.47
TNF P01375 1/20 0.44
KLF5 Q13887 1/20 0.44
NOD2 Q9HC29 1/20 0.44
NOD1 Q9Y239 1/20 0.44
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
GAA P10253 3/20 0.41
OPRK1 P41145 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.40
ALOX12 P18054 1/20 0.40
GFER P55789 1/20 0.40
TOP2A P11388 2/20 0.39

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
SCHEMBL6232064 0.86 AGTR1 (0.39) AGTR1KDM4ETNFKLF5NOD2
SCHEMBL17620785 0.84 KDM4E (0.54) AGTR1KDM4ENPC1RAB9AGAA
SCHEMBL15828354 0.84 KDM4E (0.54) AGTR1KDM4ENPC1RAB9AGAA
SCHEMBL28026184 0.82 KDM4E (0.53) AGTR1KDM4ENPC1RAB9AGAA
SCHEMBL5889037 0.80 AGTR1 (0.59) AGTR1KDM4ETNFKLF5NOD2
SCHEMBL6154094 0.78 KDM4E (0.51) AGTR1KDM4ETNFKLF5NOD2
SCHEMBL6154096 0.78 KDM4E (0.51) AGTR1KDM4ETNFKLF5NOD2
SCHEMBL6150375 0.78 AGTR1 (0.58) AGTR1KDM4ETNFKLF5NOD2
SCHEMBL30636786 0.77 KDM4E (0.46) AGTR1KDM4ETNFKLF5NOD2
SCHEMBL6229815 0.73 AGTR1 (0.40) AGTR1KDM4ETNFKLF5NOD2

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 3 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

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 AGTR1 2824/4885KDM4E 1868/4885TNF 3077/4885

“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.