SCHEMBL5589695

SCHEMBL5589695

CC(C)(C)c1cc(Br)c(C(C)(C)C)c(O)c1OC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.42
GLRB P48167 1/20 0.42
VCAM1 P19320 13/20 0.40
GABBR2 O75899 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL5588061 0.81 GLRA3 (0.42) GLRA3GLRBVCAM1GABBR2GABBR1
SCHEMBL5588379 0.81 GLRA3 (0.42) GLRA3GLRBVCAM1GABBR2GABBR1
SCHEMBL5587537 0.80 LMNA (0.44) GLRA3GLRBVCAM1GABBR2GABBR1
SCHEMBL5588758 0.79 GLRA3 (0.40) GLRA3GLRBVCAM1GABBR2GABBR1
SCHEMBL5589691 0.77 CA2 (0.48) GLRA3GLRBCA1CA2ALDH1A1
SCHEMBL5590041 0.77 VCAM1 (0.40) GLRA3GLRBVCAM1GABBR2GABBR1
SCHEMBL5589596 0.76 GLRA3 (0.46) GLRA3GLRBVCAM1GABBR2GABBR1
SCHEMBL5589784 0.76 GLRA3 (0.50) GLRA3GLRBVCAM1GABBR2GABBR1
SCHEMBL5589618 0.75 GLRA3 (0.32) GLRA3GLRBVCAM1GABBR2GABBR1
SCHEMBL5590050 0.75 PTGS1 (0.40) GLRA3GLRBVCAM1GABBR2GABBR1

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 10 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 claimed
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 EP claimed
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-03-02 US claimed
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP claimed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO claimed
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 GLRA3 1236/4885GLRB 650/4885VCAM1 985/4885

“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.