SCHEMBL5589707

SCHEMBL5589707

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 7/20 0.45
LDHB P07195 7/20 0.45
APP P05067 1/20 0.38
BACE1 P56817 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
FASN P49327 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DPP4 P27487 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
MAOB P27338 1/20 0.32
LMNA P02545 1/20 0.32
PLA2G2A P14555 1/20 0.32
PLA2G5 P39877 1/20 0.32
CYP3A4 P08684 1/20 0.31
ACHE P22303 1/20 0.31
GLRA3 O75311 1/20 0.31
GLRB P48167 1/20 0.31
ALB P02768 1/20 0.31

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
SCHEMBL4117808 0.85 FASN (0.47) LDHALDHBAPPBACE1CYP1A2
SCHEMBL5586816 0.83 LDHA (0.43) LDHALDHBHSD17B10DPP4ALDH1A1
SCHEMBL5587632 0.82 LDHA (0.41) LDHALDHBAPPBACE1CYP1A2
SCHEMBL5590558 0.82 LDHA (0.38) LDHALDHBAPPBACE1CYP1A2
SCHEMBL28677095 0.81 FASN (0.39) LDHALDHBAPPBACE1CYP1A2
SCHEMBL31643874 0.81 FASN (0.39) LDHALDHBAPPBACE1CYP1A2
SCHEMBL5590185 0.79 LDHA (0.44) LDHALDHBAPPBACE1CYP1A2
SCHEMBL5920581 0.79 LDHA (0.45) LDHALDHBCYP1A2CYP2C19FASN
SCHEMBL5587370 0.79 LDHA (0.49) LDHALDHBAPPBACE1FASN
SCHEMBL5588180 0.77 LDHA (0.47) LDHALDHBDPP4HCAR2PLA2G2A

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 486/4885APP 2649/4885

“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.