SCHEMBL5586989

SCHEMBL5586989

CCCCCCCc1c(CCCCCCC)c(OC(=O)O)c(O)c([N+](=O)[O-])c1CCCCCCC

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
ALOX5 P09917 5/20 0.35
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MGLL Q99685 1/20 0.34
IMPDH2 P12268 2/20 0.33
SCD O00767 1/20 0.31
COMT P21964 1/20 0.31
PLK1 P53350 1/20 0.31
PLK3 Q9H4B4 1/20 0.31
PTPN1 P18031 1/20 0.31

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
SCHEMBL5586711 1.00 ESR1 (0.37) ESR1TRPV1ALOX5KMT2ASMN1; SMN2
SCHEMBL5588663 1.00 ESR1 (0.37) ESR1TRPV1ALOX5KMT2ASMN1; SMN2
SCHEMBL5589318 1.00 ESR1 (0.37) ESR1TRPV1ALOX5KMT2ASMN1; SMN2
SCHEMBL5587433 0.99 ESR1 (0.35) ESR1TRPV1ALOX5KMT2ASMN1; SMN2
SCHEMBL5587195 0.95 KMT2A (0.36) ESR1TRPV1KMT2ASMN1; SMN2MGLL
SCHEMBL5588252 0.89 SMN1; SMN2 (0.33) TRPV1SMN1; SMN2IMPDH2
SCHEMBL5589515 0.83 ALOX5 (0.41) ESR1ALOX5SCD
SCHEMBL5587770 0.83 ALOX5 (0.41) ESR1ALOX5SCD
SCHEMBL5590738 0.83 ALOX5 (0.41) ESR1ALOX5SCD
SCHEMBL5589961 0.83 ALOX5 (0.41) ESR1ALOX5SCD

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 ESR1 1108/4885TRPV1 2540/4885ALOX5 188/4885

“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.