SCHEMBL2532058

SCHEMBL2532058

CN(CC(O)c1ccc(OC(=O)C(Br)c2ccccc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BACE1 P56817 6/20 0.38
GPR88 Q9GZN0 1/20 0.38
AOC3 Q16853 1/20 0.37
KDM4E B2RXH2 2/20 0.37
NPY5R Q15761 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MMP13 P45452 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
SCHEMBL2525051 0.88 GPR88 (0.44) MEN1KMT2AATML3MBTL1BACE1
SCHEMBL2531036 0.87 MEN1 (0.40) MEN1KMT2AATML3MBTL1BACE1
SCHEMBL2525474 0.87 ATM (0.40) MEN1KMT2AATML3MBTL1BACE1
SCHEMBL2532642 0.86 MEN1 (0.41) MEN1KMT2AATML3MBTL1BACE1
SCHEMBL2528612 0.86 BACE1 (0.39) MEN1KMT2AATML3MBTL1BACE1
SCHEMBL2530287 0.85 ATM (0.46) MEN1KMT2AATML3MBTL1BACE1
SCHEMBL3722932 0.85 AOC3 (0.50) MEN1KMT2AATMBACE1AOC3
SCHEMBL20611086 0.85 AOC3 (0.50) MEN1KMT2AATMBACE1AOC3
SCHEMBL2528096 0.84 BACE1 (0.38) MEN1KMT2AATML3MBTL1BACE1
SCHEMBL2529628 0.84 ELANE (0.42) ATML3MBTL1BACE1GPR88AOC3

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 MEN1 1126/4885KMT2A 2317/4885ATM 3778/4885

“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.