SCHEMBL2529261

SCHEMBL2529261

COc1cc(CC(=O)Oc2ccc(C(O)CNCC(=O)OC(C)(C)C)cc2)cc(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AOC3 Q16853 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
KMT2A Q03164 1/20 0.37
ADRB2 P07550 2/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
ADRB3 P13945 6/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.35
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL2527546 0.92 TDP1 (0.47) TDP1KDM4EGAASMN1; SMN2AOC3
SCHEMBL2527514 0.91 PDGFRB (0.41) TDP1KDM4EGAASMN1; SMN2AOC3
SCHEMBL2526965 0.87 LMNA (0.47) TDP1KDM4EGAASMN1; SMN2L3MBTL1
SCHEMBL2529623 0.86 ADRB3 (0.45) TDP1KDM4EGAASMN1; SMN2KMT2A
SCHEMBL2528949 0.85 L3MBTL1 (0.42) TDP1KDM4EGAASMN1; SMN2L3MBTL1
SCHEMBL2527446 0.85 PPARG (0.42) TDP1KDM4EGAASMN1; SMN2KMT2A
SCHEMBL2532004 0.85 HSD17B10 (0.44) TDP1KDM4EGAASMN1; SMN2AOC3
SCHEMBL2527801 0.85 MEN1 (0.42) TDP1KDM4EGAASMN1; SMN2AOC3
SCHEMBL2531906 0.84 ADRB3 (0.38) TDP1KDM4EGAASMN1; SMN2L3MBTL1
SCHEMBL2526478 0.84 PPARG (0.38) TDP1KDM4EGAASMN1; SMN2L3MBTL1

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 TDP1 3871/4885KDM4E 3080/4885GAA 4431/4885

“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.