SCHEMBL2529934

SCHEMBL2529934

Cc1ccc(C(C)C(=O)Oc2ccc(C(O)CN(C)C(=O)OC(C)(C)C)cc2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.33
GPR88 Q9GZN0 1/20 0.33

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
SCHEMBL2528245 0.89 PTGS2 (0.40) GPR88
SCHEMBL2529784 0.86 BACE1 (0.38) BACE1GPR88
SCHEMBL2529932 0.84 L3MBTL1 (0.36) BACE1
SCHEMBL2528452 0.83 AOC3 (0.34)
SCHEMBL2528244 0.83 L3MBTL1 (0.38) BACE1
SCHEMBL2529628 0.83 ELANE (0.42) BACE1GPR88
SCHEMBL2525051 0.82 GPR88 (0.44) BACE1GPR88
SCHEMBL2526825 0.82 AOC3 (0.46) GPR88
SCHEMBL2531067 0.82 GPR88 (0.36) BACE1GPR88
SCHEMBL2529783 0.81 L3MBTL1 (0.35) BACE1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039501-B2 Synephrine derivatives useful as anti-inflammatory agents UNIVERSITEIT GENT (BE) 2011-10-18 US disclosed
US-20090029999-A1 Synephrine derivatives useful as anti-inflammatory agents UNIVERSITEIT GENT (BE) 2009-01-29 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-20090029999-A1 Synephrine derivatives useful as anti-inflammatory agents HRH1, HRH3, HRH2 BACE1 1634/4885GPR88 672/4885

“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.