SCHEMBL5590085

SCHEMBL5590085

CCc1cc(O)c(O)c(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
COMT P21964 2/20 0.41
SNCA P37840 1/20 0.39
PTPN1 P18031 1/20 0.38
PTPN11 Q06124 1/20 0.38
CDK2 P24941 1/20 0.37
ALOX15 P16050 3/20 0.37
ALOX12 P18054 3/20 0.37
GLRA3 O75311 1/20 0.36
GLRB P48167 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TTR P02766 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 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
SCHEMBL5587114 0.89 PTPN1 (0.49) CA1CA2COMTSNCAPTPN1
SCHEMBL19199329 0.87 CA1 (0.41) CA1CA2COMTSNCACDK2
SCHEMBL5587190 0.87 BID (0.43) COMTPTPN1PTPN11ALOX15KDM4E
SCHEMBL5590143 0.86 BID (0.48) PTPN1ALOX15KDM4EMAPTHSD17B10
SCHEMBL19199532 0.85 PRKCE (0.50) CA1CA2COMTSNCAPTPN1
SCHEMBL5590466 0.84 BID (0.50) PTPN1ALOX15KDM4EMAPTHSD17B10
SCHEMBL5586582 0.84 BID (0.50) PTPN1ALOX15KDM4EMAPTHSD17B10
SCHEMBL5588659 0.84 BID (0.50) PTPN1ALOX15KDM4EMAPTHSD17B10
SCHEMBL5587237 0.84 BID (0.50) PTPN1ALOX15KDM4EMAPTHSD17B10
SCHEMBL5589101 0.84 BID (0.50) PTPN1ALOX15KDM4EMAPTHSD17B10

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 CA1 3572/4885CA2 2455/4885COMT 121/4885

“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.