SCHEMBL2531945

SCHEMBL2531945

CN(CC(O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.47
MAPT P10636 5/20 0.39
KMT2A Q03164 4/20 0.39
RAB9A P51151 3/20 0.39
HPGD P15428 3/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
AOC3 Q16853 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 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
SCHEMBL2531901 0.90 RAB9A (0.43) NR1H4MAPTKMT2ARAB9AHPGD
SCHEMBL2529246 0.88 NR1H4 (0.37) NR1H4MAPTKMT2ALMNAAOC3
SCHEMBL2528158 0.88 KMT2A (0.41) MAPTKMT2ARAB9AHPGDNPC1
SCHEMBL2525770 0.85 KMT2A (0.43) MAPTKMT2ASMN1; SMN2LMNAAOC3
SCHEMBL2529691 0.84 ALDH1A1 (0.41) MAPTKMT2ASMN1; SMN2GAAAOC3
SCHEMBL2532556 0.84 ALDH1A1 (0.41) MAPTKMT2ARAB9AHPGDNPC1
SCHEMBL2529323 0.83 AOC3 (0.34) MAPTKMT2AGAAAOC3MEN1
SCHEMBL2528524 0.82 F2R (0.40) MAPTKMT2AAOC3ALDH1A1PKM
SCHEMBL2528431 0.82 MAPT (0.36) NR1H4MAPTKMT2ALMNAAOC3
SCHEMBL4352299 0.82 AOC3 (0.53) MAPTKMT2ASMN1; SMN2LMNACYP1A2

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 NR1H4 545/4885MAPT 2834/4885KMT2A 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.