SCHEMBL5589697

SCHEMBL5589697

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 7/20 0.41
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
TDP1 Q9NUW8 2/20 0.35
MAPT P10636 2/20 0.33
CYP3A4 P08684 1/20 0.33
LDHA P00338 1/20 0.31
LDHB P07195 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
SCHEMBL15713202 0.79 AKR1B1 (0.35) AKR1B1
SCHEMBL5589323 0.77 AKR1B1 (0.35) AKR1B1PDE4APDE4BPDE4CPDE4D
SCHEMBL19099662 0.75 AKR1B1 (0.37) AKR1B1PDE4APDE4BPDE4CPDE4D
SCHEMBL6236991 0.74 MAPT (0.47) TDP1MAPTCYP3A4
SCHEMBL9656615 0.74 KDM4E (0.46) AKR1B1PDE4APDE4BPDE4CPDE4D
SCHEMBL21508640 0.74 AKR1B1 (0.39) AKR1B1PDE4APDE4BPDE4CPDE4D
SCHEMBL5586599 0.72 MAPT (0.32) AKR1B1TDP1MAPTCYP3A4
SCHEMBL19730500 0.72 LDHA (0.37) AKR1B1TDP1MAPTCYP3A4LDHA
SCHEMBL5589113 0.72 LDHA (0.37) AKR1B1TDP1MAPTCYP3A4LDHA
SCHEMBL19998507 0.72 LDHA (0.37) AKR1B1TDP1MAPTCYP3A4LDHA

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.