SCHEMBL2529145

SCHEMBL2529145

CN(CC(O)c1ccc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 8/20 0.43
HPGD P15428 3/20 0.43
LMNA P02545 3/20 0.43
RAF1 P04049 1/20 0.43
MAPK1 P28482 1/20 0.43
GFER P55789 1/20 0.43
PAX8 Q06710 1/20 0.43
TDP1 Q9NUW8 2/20 0.40
HSP90AA1 P07900 1/20 0.40
VCAM1 P19320 1/20 0.40
APLNR P35414 2/20 0.40
MITF O75030 1/20 0.39
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL2528524 0.88 F2R (0.40) MAPTALDH1A1KMT2A
SCHEMBL2548906 0.85 PKM (0.48) MAPTSMN1; SMN2ALDH1A1HTTNPSR1
SCHEMBL2532559 0.84 ALOX5 (0.48) MAPTL3MBTL1HPGDTDP1GAA
SCHEMBL2544070 0.83 MAPT (0.54) MAPTSMN1; SMN2L3MBTL1ALDH1A1HPGD
SCHEMBL2529810 0.83 ALPL (0.45) MAPTLMNAVCAM1HTTNPSR1
SCHEMBL2525770 0.82 KMT2A (0.43) MAPTSMN1; SMN2L3MBTL1ALDH1A1LMNA
SCHEMBL2525027 0.82 MAPT (0.41) MAPTSMN1; SMN2L3MBTL1ALDH1A1HPGD
SCHEMBL2533460 0.81 KMT2A (0.43) MAPTSMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL2532556 0.81 ALDH1A1 (0.41) MAPTALDH1A1HPGDMAPK1MITF
SCHEMBL2528205 0.80 AURKA (0.39) SMN1; SMN2ALDH1A1KMT2A

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 MAPT 2834/4885SMN1; SMN2 1884/4885L3MBTL1 4486/4885

“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.