SCHEMBL5590503

SCHEMBL5590503

CCc1c(O)c(O)c(C(=O)O)c([N+](=O)[O-])c1CC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.36
LDHB P07195 2/20 0.36
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN2C Q14957 2/20 0.35
GRIN3A Q8TCU5 2/20 0.35
FBP1 P09467 2/20 0.35
IMPDH2 P12268 2/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
COMT P21964 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PKM P14618 1/20 0.30

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
SCHEMBL5589397 0.83 LDHA (0.48) LDHALDHBIMPDH2CA1CA2
SCHEMBL5588906 0.82 MAPT (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5587284 0.81 LDHA (0.42) LDHALDHBIMPDH2TDP1L3MBTL1
SCHEMBL9489749 0.81 IMPDH2 (0.38) LDHALDHBGRIN2DGRIN3BGRIN1
SCHEMBL5589439 0.80 LDHA (0.41) LDHALDHBMAPTHSD17B10
SCHEMBL5588902 0.80 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5590110 0.79 BID (0.40) LDHALDHBMAPTHSD17B10
SCHEMBL5586566 0.79 BID (0.40) LDHALDHBMAPTHSD17B10
SCHEMBL5586831 0.79 BID (0.40) LDHALDHBMAPTHSD17B10
SCHEMBL5590331 0.79 BID (0.40) LDHALDHBMAPTHSD17B10

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 LDHA 320/4885LDHB 486/4885GRIN2D 1282/4885

“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.