SCHEMBL5587851

SCHEMBL5587851

Cc1cc(C)c(/N=C/c2ncccn2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 3/20 0.35
GAA P10253 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR4A1 P22736 1/20 0.32
MAOA P21397 1/20 0.32
LMNA P02545 1/20 0.30
RECQL P46063 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PSMD14 O00487 1/20 0.30
COPS5 Q92905 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
SCHEMBL5587854 1.00 MAPT (0.39) MAPTHTTNPSR1ALDH1A1GAA
SCHEMBL5590673 0.98 MAPT (0.38) MAPTHTTNPSR1ALDH1A1GAA
SCHEMBL5590165 0.82 KDM4E (0.39) NPSR1ALDH1A1GAAKDM4EMEN1
SCHEMBL5590168 0.82 KDM4E (0.39) NPSR1ALDH1A1GAAKDM4EMEN1
SCHEMBL5588274 0.81 ALDH1A1 (0.34) MAPTHTTNPSR1ALDH1A1
SCHEMBL5589638 0.81 KDM4E (0.38) MAPTNPSR1ALDH1A1GAAKDM4E
SCHEMBL5590327 0.79 NR4A1 (0.61) MAPTHTTNPSR1ALDH1A1GAA
SCHEMBL5589710 0.79 TRPA1 (0.31) MAPTKMT2ALMNA
SCHEMBL1683239 0.79 NR4A1 (0.61) MAPTHTTNPSR1ALDH1A1GAA
SCHEMBL5590079 0.78 TRPA1 (0.30) LMNA

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 MAPT 585/4885HTT 3594/4885NPSR1 2638/4885

“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.