SCHEMBL2528609

SCHEMBL2528609

COc1ccccc1CC(=O)Oc1ccc(C(O)CNCC(=O)OC(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
ADRB3 P13945 3/20 0.37
CCR3 P51677 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
SCHEMBL2525560 0.91 L3MBTL1 (0.38) L3MBTL1TDP1KDM4EGAASMN1; SMN2
SCHEMBL2528091 0.90 ALDH1A1 (0.38) SMN1; SMN2TSHRADRB3
SCHEMBL2529789 0.89 VNN1 (0.41) L3MBTL1TDP1KDM4EGAASMN1; SMN2
SCHEMBL2527801 0.89 MEN1 (0.42) TDP1KDM4EGAASMN1; SMN2MTNR1A
SCHEMBL2532004 0.89 HSD17B10 (0.44) L3MBTL1TDP1KDM4EGAASMN1; SMN2
SCHEMBL2532055 0.87 CA2 (0.40) L3MBTL1TDP1KDM4EGAASMN1; SMN2
SCHEMBL2531030 0.87 ADRB3 (0.38) L3MBTL1TDP1KDM4EGAASMN1; SMN2
SCHEMBL2525469 0.87 GPR119 (0.41) L3MBTL1TDP1KDM4EGAASMN1; SMN2
SCHEMBL2530285 0.85 ADRB3 (0.37) L3MBTL1TDP1KDM4EGAASMN1; SMN2
SCHEMBL2529623 0.84 ADRB3 (0.45) TDP1KDM4EGAASMN1; SMN2KMT2A

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 L3MBTL1 4486/4885TDP1 3871/4885ITGA4 4669/4885

“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.