SCHEMBL1728151

SCHEMBL1728151

COC(=O)COc1cccc(O)c1C(=O)CCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.53
ACHE P22303 1/20 0.49
SGMS1 Q86VZ5 1/20 0.49
SGMS2 Q8NHU3 1/20 0.49
MAPT P10636 4/20 0.48
GAA P10253 2/20 0.48
SLC5A1 P13866 2/20 0.48
SLC5A2 P31639 1/20 0.48
KDM4E B2RXH2 3/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 2/20 0.44
PLA2G1B P04054 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
HTT P42858 1/20 0.43
PTPN1 P18031 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL1727447 0.90 SLC5A1 (0.50) ABCB1ACHESGMS1SGMS2MAPT
SCHEMBL1727084 0.88 ABCB1 (0.44) ABCB1GAASLC5A1SLC5A2KDM4E
SCHEMBL1726651 0.85 SLC5A1 (0.63) ABCB1MAPTGAASLC5A1SLC5A2
SCHEMBL1727362 0.84 L3MBTL1 (0.41) ABCB1MAPTRAB9ANPC1PTPN1
SCHEMBL1728212 0.82 SLC5A1 (0.52) ABCB1MAPTGAASLC5A1SLC5A2
SCHEMBL7594860 0.81 CA12 (0.49) MAPTGAAKDM4ENPC1HTT
SCHEMBL1727020 0.81 SLC5A1 (0.47) ACHESGMS1SGMS2MAPTGAA
SCHEMBL1727821 0.78 MAOB (0.56) MAPTKDM4EPTPN1ALDH1A1
SCHEMBL6181777 0.78 CA12 (0.62) KDM4EPTPN1
SCHEMBL29958256 0.78 MAOB (0.56) MAPTKDM4EPTPN1ALDH1A1

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 ABCB1 130/4885ACHE 3791/4885SGMS1 2173/4885

“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.