SCHEMBL5587476

SCHEMBL5587476

CCCOC1=C(C)C(=O)C(=O)C(C)=C1OCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
ELANE P08246 1/20 0.38
CYP2A6 P11509 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
KMT2A Q03164 2/20 0.36
PTPN1 P18031 1/20 0.36
MAPT P10636 4/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 4/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34

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
SCHEMBL5590411 0.88 CA1 (0.42) CA12CA1CA2CA7CA9
SCHEMBL5589616 0.84 CDC25B (0.41) CA12CA1CA2CA7CA9
SCHEMBL9627555 0.79 CDC25B (0.57) KMT2APTPN1MAPTTP53SMN1; SMN2
SCHEMBL5587315 0.76 CA12 (0.38) CA12CA1CA2CA7CA9
SCHEMBL29208407 0.75 CYP2A6 (0.37) CA12CA1CA2CA7CA9
SCHEMBL9641989 0.75 CDC25B (0.52) CA12CA1CA2CA7CA9
SCHEMBL13417406 0.73 MCOLN3 (0.36) CA12CA1CA2CA7CA9
Inproquone SCHEMBL2039769 0.72 NSD2 (0.39) CA12CA1CA2CA7CA9
SCHEMBL5589836 0.70 PTPN1 (0.33) CA12CA1CA2CA7CA9
SCHEMBL5588449 0.70 KMT2A (0.37) CA12CA1CA2CA7CA9

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 CA12 2871/4885CA1 3572/4885CA2 2455/4885

“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.