SCHEMBL5587068

SCHEMBL5587068

CCCOc1c(C)c(O)c(O)c(C)c1OCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
TLR4 O00206 1/20 0.33
PTPRC P08575 4/20 0.33
PTPN2 P17706 4/20 0.33
PTPN1 P18031 4/20 0.33
PTPRB P23467 4/20 0.33
PTPN11 Q06124 4/20 0.33
GSTA1 P08263 2/20 0.33
GSTP1 P09211 2/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
CREB1 P16220 1/20 0.32
CYP2C9 P11712 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 2/20 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
SCHEMBL5589685 0.93 LTA4H (0.34) LTA4HPTGS1PTGS2TLR4PTPRC
SCHEMBL5588264 0.89 LTA4H (0.34) LTA4HPTGS1PTGS2TLR4PTPRC
SCHEMBL5586804 0.86 LTA4H (0.44) LTA4HTLR4GSTA1GSTP1CYP2C9
SCHEMBL5590231 0.84 LTA4H (0.34) LTA4HPTGS1PTGS2TLR4PTPRC
SCHEMBL25328718 0.83 LTA4H (0.36) LTA4HPTGS1PTGS2TLR4PTPRC
SCHEMBL28975000 0.83 LTA4H (0.36) LTA4HPTGS1PTGS2TLR4PTPRC
SCHEMBL5589967 0.81 LTA4H (0.40) LTA4HTLR4GSTA1GSTP1CYP2C9
SCHEMBL25329971 0.79 LTA4H (0.34) LTA4HPTGS1PTGS2TLR4PTPRC
SCHEMBL5589217 0.79 KDM4E (0.33) LTA4HGAAALDH1A1MAPT
SCHEMBL5587547 0.79 GSTA1 (0.32) GSTA1GSTP1CREB1MEN1KMT2A

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 LTA4H 147/4885PTGS1 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.