SCHEMBL5587192

SCHEMBL5587192

CCCCOc1c(O)c(C(=O)O)c([N+](=O)[O-])c(CCCC)c1CCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
COMT P21964 1/20 0.36
ESR1 P03372 1/20 0.36
PLA2G4B P0C869 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
LDHA P00338 1/20 0.34
LDHB P07195 1/20 0.34
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL5587432 0.94 ESR1 (0.40) ESR1PLA2G4BTHRATHRBTP53
SCHEMBL5589310 0.93 ESR1 (0.42) ESR1PLA2G4BTHRATHRBTP53
SCHEMBL5588662 0.93 ESR1 (0.42) ESR1PLA2G4BTHRATHRBTP53
SCHEMBL5586985 0.93 ESR1 (0.42) ESR1PLA2G4BTHRATHRBTP53
SCHEMBL5586706 0.93 ESR1 (0.42) ESR1PLA2G4BTHRATHRBTP53
SCHEMBL5588245 0.87 LDHA (0.35) COMTLDHALDHBSMN1; SMN2
SCHEMBL5587284 0.83 LDHA (0.42) ESR1LDHALDHBMAPTKMT2A
SCHEMBL5589055 0.80 LDHA (0.38) ESR1PLA2G4BTHRATHRBLDHA
SCHEMBL5588361 0.80 LDHA (0.43) THRATHRBLDHALDHBMAPT
SCHEMBL5588971 0.80 LDHA (0.42) ESR1PLA2G4BTHRATHRBLDHA

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 GRIN2D 1282/4885GRIN3B 1118/4885GRIN1 510/4885

“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.