SCHEMBL5587933

SCHEMBL5587933

CCCCCCOc1ccc(O)c(O)c1C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
SMPD1 P17405 1/20 0.50
PTPN11 Q06124 2/20 0.49
S1PR3 Q99500 1/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
PLA2G4B P0C869 1/20 0.48

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
SCHEMBL5589827 1.00 ALDH1A1 (0.50) ALDH1A1HPGDSMPD1PTPN11S1PR3
SCHEMBL5589309 1.00 ALDH1A1 (0.50) ALDH1A1HPGDSMPD1PTPN11S1PR3
SCHEMBL5589407 1.00 ALDH1A1 (0.50) ALDH1A1HPGDSMPD1PTPN11S1PR3
SCHEMBL5587072 1.00 ALDH1A1 (0.50) ALDH1A1HPGDSMPD1PTPN11S1PR3
SCHEMBL5589204 1.00 ALDH1A1 (0.50) ALDH1A1HPGDSMPD1PTPN11S1PR3
SCHEMBL5587128 0.98 ALDH1A1 (0.48) ALDH1A1HPGDSMPD1PTPN11S1PR3
SCHEMBL14760818 0.94 CA9 (0.46) TP53TSHR
SCHEMBL15779505 0.82 BID (0.60) ALDH1A1
SCHEMBL10696892 0.82 ALDH1A1 (0.50) ALDH1A1HPGDPTPN11S1PR3TP53
SCHEMBL10422161 0.82 BID (0.60) ALDH1A1

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 2689/4885SMPD1 4863/4885

“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.