SCHEMBL5588043

SCHEMBL5588043

CCc1ccc(/N=C(\C)c2cccc(/C(C)=N/c3ccc(CC)cc3CC)n2)c(CC)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 13/20 0.39
CYP1A2 P05177 2/20 0.38
MAPK1 P28482 1/20 0.35
CYP2A6 P11509 1/20 0.35
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
RAD52 P43351 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL5588047 1.00 SIGMAR1 (0.39) SIGMAR1CYP1A2MAPK1CYP2A6MEN1
SCHEMBL5586653 0.99 SIGMAR1 (0.39) SIGMAR1CYP1A2MAPK1CYP2A6MEN1
SCHEMBL5587480 0.88 SIGMAR1 (0.35) SIGMAR1CYP1A2MAPK1CYP2A6MEN1
SCHEMBL5587255 0.82 CYP1A2 (0.40) SIGMAR1CYP1A2MAPK1MEN1ALDH1A1
SCHEMBL5587258 0.82 CYP1A2 (0.40) SIGMAR1CYP1A2MAPK1MEN1ALDH1A1
SCHEMBL5589352 0.82 SIGMAR1 (0.43) SIGMAR1CYP1A2MAPK1CYP2A6MEN1
SCHEMBL5144785 0.81 SIGMAR1 (0.45) SIGMAR1CYP1A2MAPK1ALDH1A1HTT
SCHEMBL5144787 0.81 SIGMAR1 (0.45) SIGMAR1CYP1A2MAPK1ALDH1A1HTT
SCHEMBL5589813 0.81 SIGMAR1 (0.42) SIGMAR1CYP1A2MAPK1CYP2A6MEN1
Hydrochloric Acid SCHEMBL7175784 0.81 CYP1A2 (0.39) SIGMAR1CYP1A2MAPK1MEN1ALDH1A1

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 SIGMAR1 1143/4885CYP1A2 2390/4885MAPK1 2374/4885

“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.