SCHEMBL2528610

SCHEMBL2528610

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.41
TDP1 Q9NUW8 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
AOC3 Q16853 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
ATM Q13315 1/20 0.37
HPGD P15428 1/20 0.37
XBP1 P17861 1/20 0.37
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL2525562 0.91 MEN1 (0.40) L3MBTL1TDP1MEN1KMT2ACRHBP
SCHEMBL2527806 0.90 MEN1 (0.40) L3MBTL1TDP1MEN1KMT2AAOC3
SCHEMBL2528094 0.90 GPR88 (0.35) L3MBTL1TDP1MEN1KMT2ATSHR
SCHEMBL2532005 0.90 HSD17B10 (0.44) L3MBTL1TDP1MEN1KMT2AAOC3
SCHEMBL2531035 0.87 MEN1 (0.37) L3MBTL1TDP1MEN1KMT2AAOC3
SCHEMBL2525471 0.87 ALDH1A1 (0.38) L3MBTL1TDP1MEN1KMT2AAOC3
SCHEMBL2532057 0.87 CA2 (0.40) L3MBTL1TDP1MEN1KMT2AAOC3
SCHEMBL2529626 0.85 KMT2A (0.40) L3MBTL1TDP1MEN1KMT2AATM
SCHEMBL2527548 0.84 KMT2A (0.46) L3MBTL1TDP1KMT2AAOC3ATM
SCHEMBL2526966 0.84 ABL1 (0.47) L3MBTL1MEN1KMT2AMTNR1AMTNR1B

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 3871/4885MEN1 1126/4885

“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.