SCHEMBL5587288

SCHEMBL5587288

CCCCc1cc(OC(=O)O)c(O)c([N+](=O)[O-])c1CCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 1/20 0.40
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
ESR1 P03372 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
COMT P21964 2/20 0.34
TRPV1 Q8NER1 1/20 0.33
ALOX5 P09917 5/20 0.33
PTGS2 P35354 3/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL5589443 0.96 PPARG (0.40) SMN1; SMN2KMT2APPARGPPARDPPARA
SCHEMBL5590335 0.95 PPARG (0.39) SMN1; SMN2KMT2APPARGPPARDPPARA
SCHEMBL5586833 0.95 PPARG (0.39) SMN1; SMN2KMT2APPARGPPARDPPARA
SCHEMBL5590112 0.95 PPARG (0.39) SMN1; SMN2KMT2APPARGPPARDPPARA
SCHEMBL5590604 0.95 PPARG (0.39) SMN1; SMN2KMT2APPARGPPARDPPARA
SCHEMBL5586567 0.95 PPARG (0.39) SMN1; SMN2KMT2APPARGPPARDPPARA
SCHEMBL5589403 0.90 HMGCR (0.35) SMN1; SMN2KMT2APPARGPPARAESR1
SCHEMBL5590506 0.83 GRIN2D (0.42) SMN1; SMN2KMT2AESR1ALDH1A1TDP1
SCHEMBL5587193 0.82 TDP1 (0.39) SMN1; SMN2KMT2APPARGPPARAESR1
SCHEMBL5587372 0.81 PPARG (0.40) PPARGPPARDPPARAALDH1A1ALOX5

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 SMN1; SMN2 3076/4885KMT2A 1733/4885PPARG 3592/4885

“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.