SCHEMBL5589445

SCHEMBL5589445

CCc1c(O)c(O)c(CC)c2c1Oc1ccc(Cl)c(Cl)c1O2

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.50
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 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
SCHEMBL5587252 0.88 AHR (0.47) AHR
SCHEMBL5588156 0.85 AHR (0.45) AHRMAPK1
SCHEMBL5588673 0.81 AHR (0.53) AHR
SCHEMBL5588435 0.81 AHR (0.53) AHRPTGS1PTGS2CYP3A4MAPK1
SCHEMBL5693594 0.79 AHR (0.60) AHRCYP3A4MAPK1
SCHEMBL5588324 0.78 AHR (0.55) AHRCYP3A4MAPK1
SCHEMBL5587568 0.77 AHR (0.41) AHRPTGS1PTGS2CYP3A4MAPK1
SCHEMBL5588780 0.77 GABRA1 (0.35)
SCHEMBL9579677 0.76
Propionic Acid SCHEMBL27821222 0.76 AHR (0.56) AHRPTGS1PTGS2CYP3A4

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 3 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

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 AHR 1434/4885PTGS1 2637/4885PTGS2 3242/4885

“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.