SCHEMBL2527508

SCHEMBL2527508

COc1ccccc1C(=O)Oc1ccc(C(CN(C)C(=O)OC(C)(C)C)c2nccn2C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.45
XBP1 P17861 1/20 0.45
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TP53 P04637 2/20 0.38
GAA P10253 1/20 0.38
FFAR1 O14842 2/20 0.37
KMT2A Q03164 3/20 0.35
AURKA O14965 4/20 0.34
RPS6KB1 P23443 4/20 0.34
MEN1 O00255 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
ESR1 P03372 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
GPR88 Q9GZN0 1/20 0.33
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL2529745 0.91 KMT2A (0.40) HPGDXBP1MAPTTP53FFAR1
SCHEMBL2530798 0.91 FFAR1 (0.36) HPGDXBP1MAPTNPSR1FFAR1
SCHEMBL2527048 0.90 AURKA (0.35) HPGDXBP1MAPTNPSR1FFAR1
SCHEMBL2531074 0.89 AURKA (0.35) HPGDXBP1MAPTKMT2AAURKA
SCHEMBL2533255 0.89 AURKA (0.35) HPGDXBP1MAPTFFAR1AURKA
SCHEMBL2530359 0.89 KMT2A (0.37) MAPTKMT2AAURKARPS6KB1CYP1A2
SCHEMBL2530772 0.89 KMT2A (0.35) HPGDXBP1MAPTNPSR1TP53
SCHEMBL2527399 0.88 SLC6A2 (0.41) MAPTKMT2AAURKARPS6KB1GPR88
SCHEMBL2529414 0.88 AURKA (0.38) MAPTAURKARPS6KB1GPR88ALDH1A1
SCHEMBL2526970 0.86 CYP1A2 (0.38) MAPTGAAFFAR1KMT2AAURKA

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 HPGD 1523/4885XBP1 3731/4885MAPT 2834/4885

“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.