SCHEMBL1728216

SCHEMBL1728216

COC(=O)COc1cc(OCc2ccccc2)cc(O)c1C(=O)C=CC1C=CC=CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 1/20 0.41
SLC5A2 P31639 1/20 0.41
MAPT P10636 3/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ATM Q13315 1/20 0.38
HSD17B10 Q99714 1/20 0.38
APP P05067 2/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
PTPN1 P18031 1/20 0.35
MAOB P27338 3/20 0.35
MAOA P21397 2/20 0.35
HDAC8 Q9BY41 1/20 0.35
KDM5A P29375 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL1726653 0.86 MAPT (0.37) SLC5A1SLC5A2MAPTKMT2ATP53
SCHEMBL1728154 0.82 NFKB1 (0.39) MAPTKMT2AAPPABCG2MAOB
SCHEMBL1937965 0.76 ABCG2 (0.54) MAPTKMT2ATP53CYP3A4ATM
SCHEMBL4742843 0.74 MAOA (0.47) SLC5A1SLC5A2MAPTKMT2ATP53
SCHEMBL1938572 0.73 MAPT (0.50) SLC5A1SLC5A2MAPTKMT2ATP53
SCHEMBL1728212 0.72 SLC5A1 (0.52) SLC5A1SLC5A2MAPTMAOBLMNA
SCHEMBL13764468 0.71 SLC5A1 (0.56) SLC5A1SLC5A2MAPTKMT2ATP53
SCHEMBL1727983 0.69 SLC5A1 (0.72) SLC5A1SLC5A2MAPTKMT2ATP53
SCHEMBL30383800 0.69 SLC5A1 (0.72) SLC5A1SLC5A2MAPTKMT2ATP53
SCHEMBL1727986 0.69 SLC5A1 (0.72) SLC5A1SLC5A2MAPTKMT2ATP53

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 SLC5A1 1/4885SLC5A2 2/4885MAPT 2022/4885

“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.