SCHEMBL2529638

SCHEMBL2529638

CN(CC(O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
THRB P10828 1/20 0.38
ELANE P08246 1/20 0.36
BCHE P06276 1/20 0.36
FPR3 P25089 1/20 0.36
FPR2 P25090 1/20 0.36
PRSS1 P07477 1/20 0.36
ACR P10323 1/20 0.36
HIF1A Q16665 1/20 0.35
AOC3 Q16853 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL2525770 0.89 KMT2A (0.43) KMT2AMEN1SLC6A2SLC6A4SLC6A3
SCHEMBL2531521 0.89 SLC6A2 (0.39) KMT2ASLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL2532097 0.89 AOC3 (0.42) KMT2AMEN1SLC6A2SLC6A4SLC6A3
SCHEMBL2525522 0.89 MAPT (0.49) KMT2AMEN1SLC6A2SLC6A4SLC6A3
SCHEMBL2525241 0.89 KMT2A (0.51) KMT2AMEN1SLC6A2SLC6A4SLC6A3
SCHEMBL1979471 0.88 MEN1 (0.43) KMT2AMEN1FPR3FPR2AOC3
SCHEMBL2531804 0.87 ALDH1A1 (0.44) KMT2ASLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL2529170 0.87 SLC6A2 (0.37) KMT2ASLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL2528528 0.86 ADRB2 (0.39) KMT2ASLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL2528590 0.86 MAPT (0.41) KMT2ASLC6A2SLC6A4SLC6A3ALDH1A1

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 KMT2A 2317/4885MEN1 1126/4885TP53 1802/4885

“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.