SCHEMBL5589703

SCHEMBL5589703

CCCOc1c(O)c(C(=O)O)c(OCC)c(OCC)c1OCC

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
PLK1 P53350 1/20 0.33
GSTA1 P08263 2/20 0.32
GSTP1 P09211 2/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CREB1 P16220 1/20 0.32
TSHR P16473 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
SCHEMBL5587826 1.00 KMT2A (0.36) KMT2AMEN1TP53THRBPLK1
SCHEMBL5588784 0.95 KMT2A (0.38) KMT2AMEN1TP53THRBGSTA1
SCHEMBL5590565 0.91 THRB (0.37) TP53THRBLMNAL3MBTL1TSHR
SCHEMBL5586667 0.90 THRA (0.41) TP53THRBTSHR
SCHEMBL5587162 0.90 THRA (0.41) TP53THRBTSHR
SCHEMBL5586923 0.89 PLA2G2A (0.43) KMT2AMEN1TP53THRBTSHR
SCHEMBL5589549 0.89 PLA2G2A (0.43) KMT2AMEN1TP53THRBTSHR
SCHEMBL5588080 0.88 THRA (0.42) TP53THRBL3MBTL1TSHR
SCHEMBL5589001 0.88 THRA (0.42) TP53THRBL3MBTL1TSHR
SCHEMBL5587259 0.87 PLA2G2A (0.45) KMT2AMEN1TP53THRBTSHR

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 KMT2A 1733/4885MEN1 3377/4885TP53 3753/4885

“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.