SCHEMBL5586922

SCHEMBL5586922

CCCCOc1c(O)c(O)c(C(=O)O)c(CCC)c1CCC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.46
LDHB P07195 2/20 0.46
GRM2 Q14416 1/20 0.41
CYSLTR2 Q9NS75 9/20 0.40
CYSLTR1 Q9Y271 9/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
NFKB1 P19838 1/20 0.38
PPARG P37231 1/20 0.38
BLM P54132 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
PLA2G4B P0C869 1/20 0.38

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
SCHEMBL5588107 0.94 LDHA (0.43) LDHALDHBCYSLTR2CYSLTR1THRA
SCHEMBL5588971 0.94 LDHA (0.42) LDHALDHBTHRATHRBTP53
SCHEMBL5589662 0.93 BID (0.41) LDHALDHBTHRATHRBTP53
SCHEMBL5587752 0.91 BID (0.43) LDHALDHBTHRATHRBTP53
SCHEMBL5590137 0.91 BID (0.43) LDHALDHBTHRATHRBTP53
SCHEMBL5588361 0.91 LDHA (0.43) LDHALDHBGRM2CYSLTR2CYSLTR1
SCHEMBL5589504 0.91 BID (0.43) LDHALDHBTHRATHRBTP53
SCHEMBL5587444 0.91 BID (0.43) LDHALDHBTHRATHRBTP53
SCHEMBL5588484 0.91 BID (0.43) LDHALDHBTHRATHRBTP53
SCHEMBL5589927 0.91 LDHA (0.46) LDHALDHBGRM2CYSLTR2CYSLTR1

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 486/4885GRM2 442/4885

“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.