SCHEMBL2531804

SCHEMBL2531804

CN(CC(O)c1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
MCHR1 Q99705 1/20 0.42
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
UTS2R Q9UKP6 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
PARP10 Q53GL7 1/20 0.38
USP30 Q70CQ3 1/20 0.37
ABHD6 Q9BV23 1/20 0.37
CACNA1B Q00975 1/20 0.37

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
SCHEMBL2525241 0.93 KMT2A (0.51) ALDH1A1PKMKMT2ASLC6A2SLC6A4
SCHEMBL2528599 0.89 ALDH1A1 (0.42) ALDH1A1PKMKMT2ASLC6A2SLC6A4
SCHEMBL2528596 0.89 ALDH1A1 (0.42) ALDH1A1PKMKMT2ASLC6A2SLC6A4
SCHEMBL2529638 0.87 KMT2A (0.41) ALDH1A1PKMKMT2ASLC6A2SLC6A4
SCHEMBL2525522 0.87 MAPT (0.49) ALDH1A1PKMKMT2ASLC6A2SLC6A4
SCHEMBL2525770 0.87 KMT2A (0.43) ALDH1A1PKMKMT2ASLC6A2SLC6A4
SCHEMBL2531521 0.87 SLC6A2 (0.39) ALDH1A1PKMKMT2ASLC6A2SLC6A4
SCHEMBL2532097 0.87 AOC3 (0.42) ALDH1A1PKMKMT2ASLC6A2SLC6A4
SCHEMBL2525263 0.86 GBA1 (0.41) ALDH1A1PKMKMT2ASLC6A2SLC6A4
SCHEMBL2529170 0.85 SLC6A2 (0.37) ALDH1A1PKMKMT2ASLC6A2SLC6A4

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 ALDH1A1 3248/4885PKM 3604/4885KMT2A 2317/4885

“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.