SCHEMBL2529628

SCHEMBL2529628

CC(C)C(=O)Oc1ccc(C(O)CN(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.42
AOC3 Q16853 1/20 0.39
BCHE P06276 2/20 0.37
GPR88 Q9GZN0 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
RAB9A P51151 1/20 0.34
BACE1 P56817 2/20 0.34
CYP2D6 P10635 2/20 0.33
ADRB2 P07550 1/20 0.33
ACHE P22303 1/20 0.33
KCNH2 Q12809 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPY5R Q15761 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
SCHEMBL2525142 0.90 AOC3 (0.40) ELANEAOC3BCHEGPR88RAB9A
SCHEMBL2525051 0.87 GPR88 (0.44) AOC3GPR88BACE1ATML3MBTL1
SCHEMBL2526825 0.87 AOC3 (0.46) AOC3GPR88L3MBTL1
SCHEMBL2528245 0.87 PTGS2 (0.40) ELANEAOC3BCHEGPR88LMNA
SCHEMBL2532586 0.86 ELANE (0.55) ELANEAOC3BCHEADRB2LMNA
SCHEMBL2529249 0.85 AOC3 (0.37) ELANEAOC3BCHEGPR88
SCHEMBL2529281 0.85 ESR1 (0.49) ELANEAOC3BCHEGPR88RAB9A
SCHEMBL2527485 0.84 ELANE (0.43) ELANEAOC3BCHEGPR88RAB9A
SCHEMBL2525474 0.84 ATM (0.40) AOC3GPR88BACE1ATML3MBTL1
SCHEMBL2532058 0.84 MEN1 (0.40) AOC3GPR88BACE1ATML3MBTL1

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-8039501-B2 Synephrine derivatives useful as anti-inflammatory agents UNIVERSITEIT GENT (BE) 2011-10-18 US claimed
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 ELANE 270/4885AOC3 2105/4885BCHE 962/4885

“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.