SCHEMBL2532057

SCHEMBL2532057

CN(CC(O)c1ccc(OC(=O)Cc2ccccc2Br)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.40
CA5A P35218 2/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SIRT5 Q9NXA8 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
BACE1 P56817 3/20 0.33
AOC3 Q16853 1/20 0.33
GPR88 Q9GZN0 1/20 0.33
MMP13 P45452 1/20 0.33
PDK2 Q15119 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
BCHE P06276 1/20 0.32

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
SCHEMBL2525471 0.88 ALDH1A1 (0.38) MEN1KMT2ATDP1L3MBTL1SIRT5
SCHEMBL2531035 0.88 MEN1 (0.37) MEN1KMT2ATDP1L3MBTL1SIRT5
SCHEMBL2528610 0.87 L3MBTL1 (0.41) MEN1KMT2ATDP1L3MBTL1SIRT5
SCHEMBL2529626 0.86 KMT2A (0.40) MEN1KMT2ATDP1L3MBTL1BACE1
SCHEMBL2528094 0.85 GPR88 (0.35) MEN1KMT2ATDP1L3MBTL1SIRT5
SCHEMBL2529210 0.84 KMT2A (0.40) MEN1KMT2ATDP1L3MBTL1AOC3
SCHEMBL2529431 0.84 HPGD (0.38) MEN1KMT2ABACE1AOC3GPR88
SCHEMBL2529226 0.84 KMT2A (0.40) MEN1KMT2AL3MBTL1
SCHEMBL2528744 0.83 RIPK1 (0.39) MEN1KMT2ACTSSCTSKBACE1
SCHEMBL2529783 0.82 L3MBTL1 (0.35) TDP1L3MBTL1BACE1AOC3NPSR1

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 CA2 1756/4885CA5A 1707/4885MEN1 1126/4885

“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.