SCHEMBL1726653

SCHEMBL1726653

COC(=O)COc1cc(O)cc(O)c1C(=O)C=CC1C=CC=CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
KCNA3 P22001 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
APP P05067 1/20 0.34
HMGCR P04035 2/20 0.33
LMNA P02545 1/20 0.33
SLC5A1 P13866 2/20 0.33
SLC5A2 P31639 2/20 0.33
ABCG2 Q9UNQ0 3/20 0.32
PTGDR Q13258 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
NFKB1 P19838 1/20 0.31
DPP4 P27487 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL1728216 0.86 SLC5A1 (0.41) MAPTKMT2AMEN1KCNA3NPSR1
SCHEMBL1938572 0.86 MAPT (0.50) MAPTKMT2AMEN1KCNA3NPSR1
SCHEMBL1728154 0.86 NFKB1 (0.39) MAPTKMT2AMEN1APPABCG2
SCHEMBL2493332 0.81 MEN1 (0.42) MAPTKMT2AMEN1KCNA3NPSR1
SCHEMBL1937965 0.78 ABCG2 (0.54) MAPTKMT2AMEN1ABCG2NFKB1
SCHEMBL4742843 0.78 MAOA (0.47) MAPTKMT2AMEN1SLC5A1SLC5A2
SCHEMBL1727449 0.70 NFKB1 (0.38) MAPTAPPABCG2NFKB1NFKB2
SCHEMBL1727086 0.70 NFKB1 (0.38) MAPTKMT2AMEN1APPABCG2
SCHEMBL1728345 0.69 NFKB1 (0.37) APPABCG2NFKB1NFKB2RELA
SCHEMBL28098802 0.68 CYP3A4 (0.48) MAPTKMT2AMEN1NPSR1APP

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1609798-B1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2012-05-09 EP disclosed
EP-1609798-A9 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-01-11 EP disclosed
US-7566699-B2 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-07-28 US disclosed
US-20060247179-A1 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 US disclosed
EP-1609798-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2005-12-28 EP 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-20060247179-A1 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof SLC5A1, SLC5A2, GPR119 MAPT 2022/4885KMT2A 940/4885MEN1 4045/4885

“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.