SCHEMBL5590573

SCHEMBL5590573

CCOc1c(O)c(C(=O)O)c(C)c(C)c1CC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.36
BACE1 P56817 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PSMG3 Q9BT73 1/20 0.33
METAP2 P50579 1/20 0.33
LDHA P00338 2/20 0.33
LDHB P07195 2/20 0.33
IMPDH2 P12268 1/20 0.32
ADORA3 P0DMS8 2/20 0.32
THRB P10828 1/20 0.32
PLA2G2A P14555 1/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 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
SCHEMBL5590158 0.78 LDHA (0.40) METAP2LDHALDHB
SCHEMBL5587351 0.78 ALDH1A1 (0.33) APPBACE1ALDH1A1HPGDKDM4E
SCHEMBL5590742 0.77 APP (0.41) APPBACE1ALDH1A1HPGDKDM4E
SCHEMBL5587976 0.77 DPP4 (0.35) APPBACE1ALDH1A1HPGDKDM4E
SCHEMBL5587197 0.77 THRB (0.38) APPBACE1ALDH1A1HPGDKDM4E
SCHEMBL5586616 0.76 KMT2A (0.33) METAP2LDHALDHBMEN1KMT2A
SCHEMBL5588959 0.76 LDHA (0.37) APPBACE1CYP1A2CYP2C19ALDH1A1
SCHEMBL5590117 0.76 APP (0.35) APPBACE1CYP1A2CYP2C19ALDH1A1
SCHEMBL5589983 0.75 LDHA (0.38) LDHALDHBTHRB
SCHEMBL5590565 0.74 THRB (0.37) ALDH1A1HPGDKDM4EHSD17B10L3MBTL1

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 APP 2649/4885BACE1 2568/4885CYP1A2 2390/4885

“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.