SCHEMBL2532601

SCHEMBL2532601

CN(CC(O)c1ccc(OC(=O)c2cc(F)c(F)c(F)c2F)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.33
RPS6KB1 P23443 4/20 0.33
AOC3 Q16853 2/20 0.33
KAT6A Q92794 1/20 0.33
KAT5 Q92993 1/20 0.33
PDK2 Q15119 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
BCHE P06276 2/20 0.32
ELANE P08246 1/20 0.32
GPR88 Q9GZN0 1/20 0.32
BACE1 P56817 1/20 0.31
ADRB2 P07550 1/20 0.31
CYP2D6 P10635 1/20 0.31
ACHE P22303 1/20 0.31
KCNH2 Q12809 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
SCHEMBL2529323 0.91 AOC3 (0.34) AURKARPS6KB1AOC3PDK2POLB
SCHEMBL2531040 0.88 AOC3 (0.34) AURKARPS6KB1AOC3PDK2BCHE
SCHEMBL2526900 0.87 AOC3 (0.36) AURKARPS6KB1AOC3PDK2BCHE
SCHEMBL2526962 0.87 HIF1A (0.40) AURKARPS6KB1AOC3POLBMAPT
SCHEMBL2528474 0.87 KMT2A (0.37) AURKARPS6KB1AOC3POLBMAPT
SCHEMBL2527542 0.86 KMT2A (0.46) POLBMAPTADRB2
SCHEMBL2531959 0.85 AAK1 (0.37) AURKARPS6KB1POLBMAPT
SCHEMBL2529315 0.84 AOC3 (0.35) AURKARPS6KB1AOC3PDK2BCHE
SCHEMBL2533379 0.84 AOC3 (0.34) AURKARPS6KB1AOC3PDK2BCHE
SCHEMBL2532849 0.84 RXRA (0.41) PDK2

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 AURKA 2197/4885RPS6KB1 1424/4885AOC3 2105/4885

“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.