SCHEMBL2528528

SCHEMBL2528528

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
F2R P25116 1/20 0.39
ALDH1A1 P00352 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
HIF1A Q16665 1/20 0.38
MAPT P10636 2/20 0.38
PRSS1 P07477 1/20 0.37
ACR P10323 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 2/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
AOC3 Q16853 1/20 0.36
PKM P14618 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
SCHEMBL2526472 0.88 CYP11B1 (0.39) F2RALDH1A1PRSS1ACRSLC6A2
SCHEMBL2525522 0.86 MAPT (0.49) ALDH1A1MAPTPRSS1ACRSLC6A2
SCHEMBL2532097 0.86 AOC3 (0.42) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL2529638 0.86 KMT2A (0.41) ALDH1A1HIF1AMAPTPRSS1ACR
SCHEMBL2525770 0.86 KMT2A (0.43) ALDH1A1MAPTPRSS1ACRSLC6A2
SCHEMBL2531521 0.86 SLC6A2 (0.39) ALDH1A1MAPTPRSS1ACRSLC6A2
SCHEMBL2525241 0.86 KMT2A (0.51) ALDH1A1CYP1A2CYP2D6MAPTSLC6A2
SCHEMBL2529170 0.84 SLC6A2 (0.37) ADRB3F2RALDH1A1MAPTPRSS1
SCHEMBL2531804 0.84 ALDH1A1 (0.44) ALDH1A1MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL2532583 0.84 LMNA (0.50) CYP1A2CYP2D6MAPTPRSS1ACR

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 ADRB2 891/4885ADRB1 959/4885ADRB3 557/4885

“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.