SCHEMBL5586816

SCHEMBL5586816

CCc1c(O)c(O)c(C(=O)O)c(CC)c1CC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LDHA P00338 6/20 0.43
LDHB P07195 6/20 0.43
HSD17B10 Q99714 1/20 0.36
GLRA3 O75311 1/20 0.33
GLRB P48167 1/20 0.33
PTPN1 P18031 1/20 0.32
PTPN11 Q06124 1/20 0.32
DPP4 P27487 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30

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
SCHEMBL5589002 0.88 LDHA (0.54) LDHALDHBHSD17B10PTPN1PTPN11
SCHEMBL5588180 0.85 LDHA (0.47) LDHALDHBPTPN1PTPN11DPP4
SCHEMBL668597 0.83 HSD17B10 (0.41) LDHALDHBHSD17B10GLRA3GLRB
SCHEMBL29150788 0.83 ALDH1A1 (0.37) LDHALDHBHSD17B10PTPN1PTPN11
SCHEMBL5589707 0.83 LDHA (0.45) LDHALDHBHSD17B10GLRA3GLRB
SCHEMBL5588731 0.83 LDHA (0.38) LDHALDHBHSD17B10GLRA3GLRB
SCHEMBL5588001 0.81 LDHA (0.37) LDHALDHBHSD17B10GLRA3GLRB
SCHEMBL5588218 0.81 LDHA (0.37) LDHALDHBHSD17B10GLRA3GLRB
SCHEMBL5587944 0.81 CA1 (0.37) LDHALDHBHSD17B10GLRA3GLRB
SCHEMBL5588350 0.81 LDHA (0.47) LDHALDHBPTPN1PTPN11DPP4

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 LDHA 320/4885LDHB 486/4885HSD17B10 1640/4885

“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.