SCHEMBL2532004

SCHEMBL2532004

COc1ccc(OC)c(CC(=O)Oc2ccc(C(O)CNCC(=O)OC(C)(C)C)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADRA1A P35348 1/20 0.37
AOC3 Q16853 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL2527801 0.92 MEN1 (0.42) MEN1KMT2AMTNR1AMTNR1BAOC3
SCHEMBL2528609 0.89 L3MBTL1 (0.40) MEN1KMT2AMTNR1AMTNR1BADRB3
SCHEMBL2526965 0.86 LMNA (0.47) MEN1KMT2AMTNR1AMTNR1BADRB2
SCHEMBL2529261 0.85 TDP1 (0.40) KMT2AADRB2ADRB3LMNAAOC3
SCHEMBL2527546 0.85 TDP1 (0.47) KMT2AADRB2ADRB3AOC3L3MBTL1
SCHEMBL2525560 0.85 L3MBTL1 (0.38) MEN1KMT2AMTNR1AMTNR1BL3MBTL1
SCHEMBL2527514 0.84 PDGFRB (0.41) MEN1KMT2AMTNR1AMTNR1BADRB2
SCHEMBL2528243 0.82 L3MBTL1 (0.38) ADRB2ADRB3LMNAL3MBTL1
SCHEMBL2529782 0.82 L3MBTL1 (0.35) ADRB3LMNAL3MBTL1GAATDP1
SCHEMBL2529688 0.80 ALDH1A1 (0.43) MEN1KMT2AADRB1ADRB3L3MBTL1

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 HSD17B10 1710/4885MEN1 1126/4885KMT2A 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.