SCHEMBL2530998

SCHEMBL2530998

CN(CC(O)c1ccc(OC(=O)CCc2ccccc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
ADRB3 P13945 3/20 0.39
HPGD P15428 1/20 0.39
BACE1 P56817 5/20 0.39
TDP1 Q9NUW8 1/20 0.37
ABCB1 P08183 2/20 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
SCHEMBL2532643 0.94 KMT2A (0.42) KMT2AADRB3HPGDBACE1
SCHEMBL2526823 0.91 AOC3 (0.43) KMT2ATDP1
SCHEMBL2529626 0.89 KMT2A (0.40) KMT2AADRB3HPGDBACE1TDP1
SCHEMBL2531063 0.88 AKR1C3 (0.37) KMT2ABACE1
SCHEMBL2532007 0.85 BCL9 (0.41) KMT2ABACE1
SCHEMBL2529496 0.84 KMT2A (0.37) KMT2A
SCHEMBL2529281 0.83 ESR1 (0.49) KMT2A
SCHEMBL2525190 0.83 KMT2A (0.41) KMT2A
SCHEMBL2525241 0.82 KMT2A (0.51) KMT2ABACE1TDP1
SCHEMBL2525540 0.82 PPARG (0.41) KMT2AADRB3

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 2317/4885ADRB3 557/4885HPGD 1523/4885

“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.