SCHEMBL5587447

SCHEMBL5587447

CC(C)(C)c1cc(C(C)(C)C)c([N+](=O)[O-])c(OC(=O)O)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
GALR3 O60755 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GLRA3 O75311 1/20 0.45
GLRB P48167 1/20 0.45
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 1/20 0.42
NR1H4 Q96RI1 3/20 0.39
GAA P10253 1/20 0.38
GABBR2 O75899 1/20 0.38
GABBR1 Q9UBS5 1/20 0.38
VCAM1 P19320 4/20 0.36
PKM P14618 1/20 0.36
GPR35 Q9HC97 1/20 0.36
MAPT P10636 1/20 0.35
CA1 P00915 2/20 0.35

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
SCHEMBL397236 0.79 SMN1; SMN2 (0.61) MEN1GALR3HTTKMT2ASMN1; SMN2
SCHEMBL6232019 0.78 HTT (0.45) MEN1GALR3HTTKMT2ASMN1; SMN2
SCHEMBL5589360 0.74 GLRA3 (0.50) SMN1; SMN2GLRA3GLRBALDH1A1TDP1
SCHEMBL5589886 0.74 GLRA3 (0.50) MEN1GALR3HTTKMT2ASMN1; SMN2
SCHEMBL5589784 0.74 GLRA3 (0.50) MEN1GALR3HTTKMT2ASMN1; SMN2
SCHEMBL10411480 0.72 SMN1; SMN2 (0.58) MEN1GALR3HTTKMT2ASMN1; SMN2
SCHEMBL5589596 0.72 GLRA3 (0.46) SMN1; SMN2GLRA3GLRBALDH1A1TDP1
SCHEMBL10977680 0.72 KMT2A (0.57) MEN1GALR3HTTKMT2ASMN1; SMN2
SCHEMBL10985384 0.72 KMT2A (0.57) MEN1GALR3HTTKMT2ASMN1; SMN2
SCHEMBL28295087 0.72 ALDH1A1 (0.44) MEN1GALR3HTTKMT2ASMN1; SMN2

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 MEN1 3377/4885GALR3 531/4885HTT 3594/4885

“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.