SCHEMBL5680928

SCHEMBL5680928

CCCc1cc(O)c(OC(=O)O)cc1C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.41
PTPN11 Q06124 3/20 0.41
HMGCR P04035 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PTPN2 P17706 1/20 0.40
PRKCI P41743 1/20 0.35
LDHA P00338 2/20 0.35
LDHB P07195 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
XBP1 P17861 1/20 0.35
HIF1A Q16665 1/20 0.35
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL5678036 0.94 HMGCR (0.45) PTPN1PTPN11HMGCRNPSR1PTPN2
SCHEMBL5678440 0.91 PTPN1 (0.41) PTPN1NPSR1MAPTALDH1A1KDM4E
SCHEMBL5678450 0.89 PTPN1 (0.45) PTPN1MAPTHTT
SCHEMBL5678820 0.88 HMGCR (0.49) PTPN1PTPN11HMGCRPTPN2PRKCI
SCHEMBL5680838 0.88 NPSR1 (0.36) NPSR1
SCHEMBL5676850 0.85 HMGCR (0.46) PTPN1PTPN11HMGCRPTPN2PRKCI
SCHEMBL5678232 0.85 HMGCR (0.46) PTPN1PTPN11HMGCRPTPN2PRKCI
SCHEMBL5677697 0.84 PTPN1 (0.41) PTPN1NPSR1MAPTALDH1A1HPGD
SCHEMBL5193722 0.83 PTPN1 (0.45) PTPN1MAPTHTT
SCHEMBL5676361 0.83 HMGCR (0.44) PTPN1PTPN11HMGCRPTPN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060036049-A1 Soluble late transition metal catalysts for olefin oligomerizations III ZHAO BAIYI 2006-02-16 US disclosed
EP-1620447-A1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS III Exxonmobil Chemical Patents Inc. (US) 2006-02-01 EP disclosed
WO-2003102006-A1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS III EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-12-11 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-20060036049-A1 Soluble late transition metal catalysts for olefin oligomerizations III COMT, CD69, SPR PTPN1 4673/4885PTPN11 4670/4885HMGCR 3490/4885

“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.