SCHEMBL2525569

SCHEMBL2525569

CN(CC(O)c1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.47
UTS2R Q9UKP6 1/20 0.43
ADRB2 P07550 2/20 0.41
ADRB1 P08588 2/20 0.41
ADRB3 P13945 2/20 0.41
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 2/20 0.37
XBP1 P17861 1/20 0.37
NR1D1 P20393 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
AURKA O14965 2/20 0.36
RPS6KB1 P23443 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
MEN1 O00255 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
SCHEMBL2526443 0.85 HPGD (0.38) BACE1KMT2AHPGDXBP1MAPT
SCHEMBL2529431 0.85 HPGD (0.38) BACE1KMT2AHPGDXBP1MAPT
SCHEMBL2528158 0.85 KMT2A (0.41) ADRB2ADRB1ADRB3KMT2APOLB
SCHEMBL2527542 0.85 KMT2A (0.46) ADRB2ADRB1ADRB3KMT2APOLB
SCHEMBL2528474 0.84 KMT2A (0.37) BACE1KMT2APOLBHPGDXBP1
SCHEMBL2533453 0.83 BACE1 (0.43) BACE1NR1D1MAPTALDH1A1
SCHEMBL2525241 0.83 KMT2A (0.51) BACE1KMT2ATDP1MAPTL3MBTL1
SCHEMBL2533460 0.82 KMT2A (0.43) KMT2AGAAHPGDXBP1KDM4E
SCHEMBL4018256 0.81 KMT2A (0.43) BACE1UTS2RADRB2ADRB1ADRB3
SCHEMBL4018252 0.80 KMT2A (0.39) BACE1UTS2RADRB2ADRB1ADRB3

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 5 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 claimed
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
EP-1963255-A1 SYNEPHRINE DERIVATIVES USEFUL AS ANTI-INFLAMMATORY AGENTS UNIVERSITEIT GENT (BE) 2008-09-03 EP disclosed
WO-2007071452-A1 SYNEPHRINE DERIVATIVES USEFUL AS ANTI-INFLAMMATORY AGENTS UNIVERSITEIT GENT (BE) 2007-06-28 WO 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 1634/4885UTS2R 817/4885ADRB2 891/4885

“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.