SCHEMBL5587161

SCHEMBL5587161

CCCc1c(Br)c(O)c(O)c(C(=O)O)c1CCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 0.49
LDHB P07195 3/20 0.49
PTPN1 P18031 4/20 0.39
PTPN11 Q06124 2/20 0.39
HCAR2 Q8TDS4 2/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
JUN P05412 1/20 0.34
DRD4 P21917 2/20 0.33
BID P55957 3/20 0.32
MCL1 Q07820 3/20 0.32
BCL2L1 Q07817 2/20 0.32
BAK1 Q16611 2/20 0.32
KAT8 Q9H7Z6 2/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
EP300 Q09472 1/20 0.32
KAT2A Q92830 1/20 0.32

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
SCHEMBL5587166 0.93 LDHA (0.48) LDHALDHBPTPN1PTPN11HCAR2
SCHEMBL5588665 0.89 HCAR2 (0.44) LDHALDHBHCAR2BIDMCL1
SCHEMBL5587646 0.89 LDHA (0.49) LDHALDHBPTPN1PTPN11HCAR2
SCHEMBL5590019 0.88 BID (0.42) LDHALDHBHCAR2BIDMCL1
SCHEMBL5588337 0.86 BID (0.44) LDHALDHBHCAR2BIDMCL1
SCHEMBL5588653 0.86 BID (0.44) LDHALDHBHCAR2BIDMCL1
SCHEMBL5586933 0.86 BID (0.44) LDHALDHBHCAR2BIDMCL1
SCHEMBL5588483 0.86 BID (0.44) LDHALDHBHCAR2BIDMCL1
SCHEMBL5587814 0.86 BID (0.44) LDHALDHBHCAR2BIDMCL1
SCHEMBL5587507 0.86 LDHA (0.50) LDHALDHBPTPN1PTPN11HCAR2

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 486/4885PTPN1 4679/4885

“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.