SCHEMBL5589005

SCHEMBL5589005

CCCOc1c(OCCC)c(C(C)(C)C)c(OC(=O)O)c(O)c1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.33
CD69 Q07108 1/20 0.31
RARG P13631 1/20 0.31
RXRA P19793 1/20 0.31
PPARG P37231 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
PLK1 P53350 1/20 0.30
GSTA1 P08263 1/20 0.30
GSTP1 P09211 1/20 0.30
ACACB O00763 1/20 0.30

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
SCHEMBL5587448 0.91 THRA (0.38) RXRAPPARG
SCHEMBL5588703 0.89 CD69 (0.33) PTGS1CD69MAPT
SCHEMBL5588995 0.81 PTGS1 (0.37) PTGS1CD69GAAPLK1GSTA1
SCHEMBL6258847 0.79 KMT2A (0.36) PTGS1CD69RARGRXRAPPARG
SCHEMBL5589210 0.78 CA1 (0.33) MAPT
SCHEMBL5590050 0.77 PTGS1 (0.40) PTGS1RARGRXRAPPARG
SCHEMBL16575418 0.73 PTGS1 (0.31) PTGS1
SCHEMBL6232616 0.73 MAPT (0.38) ALDH1A1GAAMAPT
SCHEMBL5587547 0.72 GSTA1 (0.32) ALDH1A1GSTA1GSTP1
SCHEMBL5588277 0.72 GSTA1 (0.32) ALDH1A1GSTA1GSTP1

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 PTGS1 2637/4885CD69 1846/4885RARG 4534/4885

“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.