SCHEMBL5589792

SCHEMBL5589792

CCCCCCCCCCOc1c(C)c(C)cc(O)c1O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.46
AKR1C4 P17516 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
ALOX5 P09917 5/20 0.44
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
NR5A1 Q13285 1/20 0.42

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
SCHEMBL5588400 0.93 ESR1 (0.44) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL29059209 0.84 ESR1 (0.53) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL7607111 0.81 THRA (0.48) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL5590437 0.81 ESR1 (0.45) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL5587142 0.81 ESR1 (0.45) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL5588895 0.81 ESR1 (0.45) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL5588941 0.81 ESR1 (0.45) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL5588917 0.79 ESR1 (0.43) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
Hx-1171 SCHEMBL29375871 0.78 ESR1 (0.50) ESR1ALOX5THRATHRBNR5A1
Hx-1171 SCHEMBL688955 0.78 ESR1 (0.50) ESR1ALOX5THRATHRBNR5A1

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 1108/4885AKR1C4 2602/4885AKR1C3 2555/4885

“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.