SCHEMBL2532055

SCHEMBL2532055

CC(C)(C)OC(=O)CNCC(O)c1ccc(OC(=O)Cc2ccccc2Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.40
CA5A P35218 2/20 0.40
ADRB3 P13945 8/20 0.38
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
SIRT5 Q9NXA8 1/20 0.35
ALOX15 P16050 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL2531030 0.88 ADRB3 (0.38) ADRB3TDP1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL2525469 0.88 GPR119 (0.41) ADRB3CTSSCTSKTDP1L3MBTL1
SCHEMBL2528609 0.87 L3MBTL1 (0.40) ADRB3TDP1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL2530285 0.86 ADRB3 (0.37) ADRB3TDP1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL2528091 0.85 ALDH1A1 (0.38) ADRB3SMN1; SMN2ALOX15ALDH1A1
SCHEMBL2529623 0.85 ADRB3 (0.45) ADRB3TDP1SMN1; SMN2KDM4EGAA
SCHEMBL2529224 0.84 MEN1 (0.42) SMN1; SMN2GAAALDH1A1
SCHEMBL2529789 0.84 VNN1 (0.41) ADRB3TDP1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL2529206 0.83 PPARG (0.41) ADRB3TDP1SMN1; SMN2KDM4EGAA
SCHEMBL2525560 0.82 L3MBTL1 (0.38) TDP1L3MBTL1SMN1; SMN2KDM4EGAA

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 CA2 1756/4885CA5A 1707/4885ADRB3 557/4885

“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.