SCHEMBL4004352

SCHEMBL4004352

CC(=O)OCCc1ccc(Cc2ccc(COC(C)=O)cc2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
TYR P14679 1/20 0.43
ALDH1A1 P00352 1/20 0.41
APP P05067 2/20 0.41
YWHAG P61981 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CA2 P00918 1/20 0.40
ALOX5 P09917 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IDH1 O75874 1/20 0.38
CA12 O43570 2/20 0.37
MET P08581 2/20 0.37
CA4 P22748 2/20 0.37
CA6 P23280 2/20 0.37
CA5A P35218 2/20 0.37
CA7 P43166 2/20 0.37

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
SCHEMBL4294675 0.92 CYP3A4 (0.45) CYP3A4ALDH1A1MAPTMEN1KMT2A
SCHEMBL4284205 0.90 CYP3A4 (0.53) CYP3A4ALDH1A1MAPTMEN1KMT2A
SCHEMBL4281110 0.86 APP (0.44) TYRAPPYWHAGMAPTMEN1
SCHEMBL4288729 0.86 CYP3A4 (0.49) CYP3A4ALDH1A1MAPTMEN1KMT2A
SCHEMBL4292887 0.86 CYP3A4 (0.49) CYP3A4ALDH1A1MAPTMEN1KMT2A
SCHEMBL3999055 0.86 CYP3A4 (0.49) CYP3A4ALDH1A1MAPTMEN1KMT2A
SCHEMBL4281466 0.84 CYP3A4 (0.48) CYP3A4ALDH1A1MAPTMEN1KMT2A
SCHEMBL4287021 0.84 KMT2A (0.50) CYP3A4ALDH1A1MAPTMEN1KMT2A
SCHEMBL4283128 0.84 NPC1 (0.48) CYP3A4APPYWHAGMAPTNPC1
SCHEMBL4289242 0.83 CYP3A4 (0.47) CYP3A4ALDH1A1MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541341-B2 Glucopyranosyloxybenzylbenzene derivatives and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-06-02 US disclosed
US-20090137499-A1 BENZYLPHENYL GLUCOPYRANOSIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-05-28 US disclosed
EP-2048150-A1 BENZYL PHENYL GLUCOPYRANOSIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-04-15 EP disclosed
US-7465712-B2 Glucopyranosyloxy benzylbenzene derivatives, medicinal compositions containing the same and intermediates for the preparation of the derivatives KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-12-16 US disclosed
US-7045665-B2 Glucopyranosyloxybenzylbenzene derivatives, medicinal compositions containing the same and intermediates for the preparation of the derivatives KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-05-16 US disclosed
EP-1367060-B1 GLUCOPYRANOSYLOXYBENZYLBENZENE DERIVATIVES AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2005-12-28 EP disclosed
EP-1270584-B1 GLUCOPYRANOSYLOXY BENZYLBENZENE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES FOR THE PREPARATION OF THE DERIVATIVES KISSEI PHARMACEUTICAL (JP) 2005-12-07 EP disclosed
US-20050080022-A1 Glucopyranosyloxybenzylbenzene derivatives, medicinal compositions containing the same and intermediates for the preparation of the derivatives KISSEI PHARMACEUTICAL CO., LTD. 2005-04-14 US disclosed
US-20050075294-A1 Glucopyranosyloxybenzylbenzene derivatives, medicinal compositions containing the same and intermediates for the preparation of the derivatives KISSEI PHARMACEUTICAL CO., LTD. 2005-04-07 US disclosed
US-20040138148-A1 Glucopyranosyloxybenzylbenzene derivatives and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2004-07-15 US disclosed
US-20040053855-A1 Glucopyranosyloxy benzylbenzene derivatives, medicinal compositions containing the same and intermediates for the preparation of the derivatives KISSEI PHARMACEUTICAL CO & LTD. (JP) 2004-03-18 US disclosed
EP-1367060-A1 GLUCOPYRANOSYLOXYBENZYLBENZENE DERIVATIVES AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2003-12-03 EP disclosed
EP-1270584-A1 GLUCOPYRANOSYLOXY BENZYLBENZENE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES FOR THE PREPARATION OF THE DERIVATIVES Kissei Pharmaceutical Co., Ltd. (JP) 2003-01-02 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 (5 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-20040053855-A1 Glucopyranosyloxy benzylbenzene derivatives, medicinal compositions containing the same and intermediates for the preparation of the derivatives SLC5A2, SLC5A1, SLC2A2 CYP3A4 364/4885TYR 821/4885ALDH1A1 328/4885
US-20050075294-A1 Glucopyranosyloxybenzylbenzene derivatives, medicinal compositions containing the same and intermediates for the preparation of the derivatives SLC5A2, SLC5A1, SLC2A2 CYP3A4 314/4885TYR 688/4885ALDH1A1 319/4885
US-20040138148-A1 Glucopyranosyloxybenzylbenzene derivatives and medicinal use thereof SLC5A2, SLC5A1, SLC2A1 CYP3A4 198/4885TYR 1407/4885ALDH1A1 585/4885
US-20090137499-A1 BENZYLPHENYL GLUCOPYRANOSIDE DERIVATIVE SLC5A1, SLC5A2, SLC2A1 CYP3A4 534/4885TYR 1270/4885ALDH1A1 896/4885
US-20050080022-A1 Glucopyranosyloxybenzylbenzene derivatives, medicinal compositions containing the same and intermediates for the preparation of the derivatives SLC5A2, SLC5A1, SLC2A2 CYP3A4 314/4885TYR 688/4885ALDH1A1 319/4885

“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.