SCHEMBL5589397

SCHEMBL5589397

CCCc1c(O)c(O)c(C(=O)O)c([N+](=O)[O-])c1CCC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 0.48
LDHB P07195 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN11 Q06124 1/20 0.35
IMPDH2 P12268 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
JUN P05412 1/20 0.32
HCAR3 P49019 1/20 0.31
COMT P21964 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
PLK1 P53350 1/20 0.30
PLK3 Q9H4B4 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
SCHEMBL5587284 0.91 LDHA (0.42) LDHALDHBSMN1; SMN2IMPDH2TDP1
SCHEMBL5589439 0.89 LDHA (0.41) LDHALDHBMAPTPLK1PLK3
SCHEMBL5590331 0.88 BID (0.40) LDHALDHBMAPTPLK1PLK3
SCHEMBL5590110 0.88 BID (0.40) LDHALDHBMAPTPLK1PLK3
SCHEMBL5590598 0.88 BID (0.40) LDHALDHBMAPTPLK1PLK3
SCHEMBL5586566 0.88 BID (0.40) LDHALDHBMAPTPLK1PLK3
SCHEMBL5586831 0.88 BID (0.40) LDHALDHBMAPTPLK1PLK3
SCHEMBL5590503 0.83 LDHA (0.36) LDHALDHBSMN1; SMN2IMPDH2CA1
SCHEMBL5588245 0.82 LDHA (0.35) LDHALDHBSMN1; SMN2IMPDH2COMT
SCHEMBL5588238 0.81 SMN1; SMN2 (0.36) LDHALDHBSMN1; SMN2IMPDH2TDP1

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 4 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
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 486/4885SMN1; SMN2 3076/4885

“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.