SCHEMBL2530359

SCHEMBL2530359

CN(CC(c1ccc(OC(=O)c2ccccc2F)cc1)c1nccn1C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 3/20 0.37
AURKA O14965 6/20 0.37
RPS6KB1 P23443 6/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.34
GPR88 Q9GZN0 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
S1PR3 Q99500 1/20 0.33
LMNA P02545 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32

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
SCHEMBL2528830 0.94 AURKA (0.38) KMT2AALDH1A1AURKARPS6KB1MAPT
SCHEMBL2527048 0.91 AURKA (0.35) KMT2AALDH1A1AURKARPS6KB1MAPT
SCHEMBL2526628 0.91 AURKA (0.39) KMT2AAURKARPS6KB1MAPTGPR88
SCHEMBL2527415 0.90 AURKA (0.37) KMT2AAURKARPS6KB1MAPTPOLB
SCHEMBL2533520 0.90 AURKA (0.35) AURKARPS6KB1GPR88S1PR3
SCHEMBL2530772 0.90 KMT2A (0.35) KMT2AALDH1A1AURKARPS6KB1MAPT
SCHEMBL2533255 0.90 AURKA (0.35) ALDH1A1AURKARPS6KB1MAPTGPR88
SCHEMBL2531074 0.90 AURKA (0.35) KMT2AALDH1A1AURKARPS6KB1MAPT
SCHEMBL2527508 0.89 HPGD (0.45) KMT2AALDH1A1AURKARPS6KB1MAPT
SCHEMBL2527495 0.89 AURKA (0.34) AURKARPS6KB1GPR88S1PR3

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 KMT2A 2317/4885ALDH1A1 3248/4885AURKA 2197/4885

“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.