SCHEMBL2528612

SCHEMBL2528612

COC(C(=O)Oc1ccc(C(O)CN(C)C(=O)OC(C)(C)C)cc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GPR88 Q9GZN0 1/20 0.37
AOC3 Q16853 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.36
NPY5R Q15761 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2527809 0.93 AOC3 (0.45) BACE1L3MBTL1MEN1KMT2AAOC3
SCHEMBL2525566 0.90 AOC3 (0.46) BACE1L3MBTL1AOC3
SCHEMBL2528096 0.90 BACE1 (0.38) BACE1ATML3MBTL1MEN1KMT2A
SCHEMBL2529791 0.89 BACE1 (0.38) BACE1ATML3MBTL1MEN1KMT2A
SCHEMBL2525051 0.87 GPR88 (0.44) BACE1ATML3MBTL1MEN1KMT2A
SCHEMBL2525474 0.86 ATM (0.40) BACE1ATML3MBTL1MEN1KMT2A
SCHEMBL2532058 0.86 MEN1 (0.40) BACE1ATML3MBTL1MEN1KMT2A
SCHEMBL2531036 0.86 MEN1 (0.40) BACE1ATML3MBTL1MEN1KMT2A
SCHEMBL2532642 0.85 MEN1 (0.41) BACE1ATML3MBTL1MEN1KMT2A
SCHEMBL2530287 0.84 ATM (0.46) BACE1ATML3MBTL1MEN1KMT2A

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 1634/4885ATM 3778/4885L3MBTL1 4486/4885

“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.