SCHEMBL1727362

SCHEMBL1727362

COC(=O)COc1cccc(O)c1C(=O)CCc1ccccc1C

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
PPARD Q03181 1/20 0.41
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
PTPN1 P18031 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 2/20 0.40
ABCB1 P08183 1/20 0.40
HMGCR P04035 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
NOTUM Q6P988 1/20 0.38

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
SCHEMBL1728151 0.84 ABCB1 (0.53) NPC1RAB9APTPN1MAPTABCB1
SCHEMBL1727447 0.82 SLC5A1 (0.50) L3MBTL1PTPN1MAPTABCB1MEN1
SCHEMBL1727084 0.81 ABCB1 (0.44) PTPN1ABCB1HMGCRMEN1LMNA
SCHEMBL6181777 0.76 CA12 (0.62) PTPN1HMGCRMEN1LMNAKMT2A
SCHEMBL7594860 0.76 CA12 (0.49) NPC1PTPN1MAPTHMGCRMEN1
SCHEMBL29958256 0.76 MAOB (0.56) PTPN1MAPTHMGCRMEN1LMNA
SCHEMBL1727821 0.76 MAOB (0.56) PTPN1MAPTHMGCRMEN1LMNA
SCHEMBL8914213 0.73 CYP4F2 (0.51) TDP1MAPTMEN1LMNAKMT2A
SCHEMBL2904007 0.73 NOTUM (0.61) TDP1MAPTMEN1LMNAKMT2A
SCHEMBL6243487 0.73 GAA (0.57) L3MBTL1NPC1RAB9AMAPTMEN1

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 L3MBTL1 2011/4885PPARD 325/4885NPC1 490/4885

“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.