SCHEMBL5586701

SCHEMBL5586701

CCCCCCCOc1ccc(OC(=O)O)c(O)c1OCCCCCCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
PTPN11 Q06124 3/20 0.45
S1PR3 Q99500 1/20 0.45
MEN1 O00255 1/20 0.44
NR1I2 O75469 1/20 0.44
LMNA P02545 1/20 0.44
CHRM2 P08172 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADRA2A P08913 1/20 0.44
MAPT P10636 1/20 0.44
OPRK1 P41145 1/20 0.44
HTR2B P41595 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
CYSLTR2 Q9NS75 4/20 0.44
CYSLTR1 Q9Y271 4/20 0.44

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
SCHEMBL5587328 1.00 ALDH1A1 (0.46) ALDH1A1HPGDPTPN11S1PR3MEN1
SCHEMBL5590490 1.00 ALDH1A1 (0.46) ALDH1A1HPGDPTPN11S1PR3MEN1
SCHEMBL5588628 1.00 ALDH1A1 (0.46) ALDH1A1HPGDPTPN11S1PR3MEN1
SCHEMBL5590321 1.00 ALDH1A1 (0.46) ALDH1A1HPGDPTPN11S1PR3MEN1
SCHEMBL5587289 0.98 ALDH1A1 (0.44) ALDH1A1HPGDPTPN11S1PR3MEN1
SCHEMBL5588577 0.89 HSD17B10 (0.40) ALDH1A1HPGDMEN1LMNAMAPT
SCHEMBL5589251 0.89 ESR1 (0.43) ALDH1A1HPGDPTPN11S1PR3TP53
SCHEMBL5587099 0.89 TP53 (0.42) ALDH1A1HPGDPTPN11S1PR3MEN1
SCHEMBL5589737 0.89 TP53 (0.42) ALDH1A1HPGDPTPN11S1PR3MEN1
SCHEMBL5591152 0.89 ESR1 (0.43) ALDH1A1HPGDPTPN11S1PR3TP53

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 ALDH1A1 2181/4885HPGD 2689/4885PTPN11 4354/4885

“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.