SCHEMBL5589784

SCHEMBL5589784

CC(C)(C)c1cc(C(C)(C)C)c(Br)c(OC(=O)O)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.50
GLRB P48167 1/20 0.50
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GABBR2 O75899 1/20 0.41
GABBR1 Q9UBS5 1/20 0.41
VCAM1 P19320 9/20 0.40
CA2 P00918 3/20 0.39
CA1 P00915 2/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
TYR P14679 1/20 0.38
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
MEN1 O00255 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
SCHEMBL5589360 0.79 GLRA3 (0.50) GLRA3GLRBALDH1A1GAATDP1
SCHEMBL5589886 0.79 GLRA3 (0.50) GLRA3GLRBALDH1A1GAATDP1
SCHEMBL5589596 0.77 GLRA3 (0.46) GLRA3GLRBALDH1A1GAATDP1
SCHEMBL5589695 0.76 GLRA3 (0.42) GLRA3GLRBALDH1A1GAATDP1
SCHEMBL5587447 0.74 MEN1 (0.50) GLRA3GLRBALDH1A1GAATDP1
SCHEMBL16938848 0.74 CA2 (0.59) GLRA3GLRBALDH1A1GAATDP1
SCHEMBL5589781 0.73 CA2 (0.52) GLRA3GLRBALDH1A1GAATDP1
SCHEMBL5588108 0.73 ALOX15 (0.41) ALDH1A1CA2CA1RECQL
SCHEMBL9150051 0.72 CA2 (0.56) GLRA3GLRBALDH1A1GAATDP1
SCHEMBL5589618 0.71 GLRA3 (0.32) GLRA3GLRBGABBR2GABBR1VCAM1

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 GLRA3 1236/4885GLRB 650/4885ALDH1A1 2181/4885

“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.