SCHEMBL5589323

SCHEMBL5589323

COc1c(OC)c(C(C)C)c(OC(=O)O)c(O)c1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 5/20 0.35
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LDHA P00338 1/20 0.31
LDHB P07195 1/20 0.31
KDM4E B2RXH2 1/20 0.30
PTGES O14684 1/20 0.30
ALOX5 P09917 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
SCHEMBL5587948 0.82 LDHA (0.33) LDHALDHB
SCHEMBL5586603 0.81 THRB (0.32)
SCHEMBL5586579 0.78 RXRA (0.33) AKR1B1KDM4E
SCHEMBL5588051 0.78 LDHA (0.31) LDHALDHB
SCHEMBL5587660 0.78 LDHA (0.31) LDHALDHB
SCHEMBL5587205 0.78 THRA (0.33) LDHALDHB
SCHEMBL5589697 0.77 AKR1B1 (0.41) AKR1B1PDE4APDE4BPDE4CPDE4D
SCHEMBL5587984 0.76 THRA (0.38) AKR1B1LDHALDHB
SCHEMBL6236994 0.75 TPMT (0.41) MAPTTDP1KDM4E
SCHEMBL5588667 0.74 PKM (0.38) MAPTTDP1KDM4E

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 3 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

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 AKR1B1 2038/4885PDE4A 4875/4885PDE4B 4878/4885

“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.