SCHEMBL4003697

SCHEMBL4003697

COCOCCc1ccc(C(O)c2ccc(OC)cc2O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.44
TYR P14679 1/20 0.44
ACHE P22303 1/20 0.44
ESR1 P03372 1/20 0.41
CYP19A1 P11511 1/20 0.41
ESR2 Q92731 1/20 0.41
ADRB2 P07550 2/20 0.39
CALM1 P0DP23 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
IGF1R P08069 1/20 0.38
ALOX15 P16050 1/20 0.38
SLC5A1 P13866 1/20 0.38
SLC5A2 P31639 1/20 0.38
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADRB3 P13945 1/20 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
SCHEMBL4000430 0.80 TYR (0.55) BCHETYRACHEESR2ALOX15
SCHEMBL3998508 0.79 BCHE (0.47) BCHETYRACHEADRB2CALM1
SCHEMBL4003915 0.77 ESR1 (0.55) ESR1CYP19A1ESR2CALM1NFKB1
SCHEMBL3999254 0.76 BCHE (0.41) BCHETYRACHESLC5A1SLC5A2
SCHEMBL27756949 0.75 TAAR1 (0.53) CALM1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL3823999 0.74 TYR (0.52) BCHETYRACHEALOX15NPC1
SCHEMBL22278988 0.73 TYR (0.53) BCHETYRACHEESR2NPC1
SCHEMBL2174782 0.72 HPGD (0.36)
SCHEMBL15114763 0.72 ESR1 (0.50) TYRACHEESR1CYP19A1ESR2
SCHEMBL12407955 0.71

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 10 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-7129381-B2 Glucopyranosyloxybenzylbenzene derivatives, medicinal compositions containing the same and intermediates in the production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-10-31 US disclosed
US-7053060-B2 Glucopyranosyloxybenzylbenzene derivatives, medicinal compositions containing the same and intermediates in the production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-05-30 US disclosed
EP-1367060-B1 GLUCOPYRANOSYLOXYBENZYLBENZENE DERIVATIVES AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2005-12-28 EP disclosed
US-20050113315-A1 Glucopyranosyloxybenzylbenzene derivatives, medicinal compositions containing the same and intermediates in the production thereof KISSEI PHARMACEUTICAL CO., LTD. 2005-05-26 US disclosed
US-20050059614-A1 Glucopyranosyloxybenzylbenzene derivatives, medicinal compositions containing the same and intermediates in the production thereof KISSEI PHARMACEUTICAL CO., LTD. 2005-03-17 US disclosed
US-20040138148-A1 Glucopyranosyloxybenzylbenzene derivatives and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2004-07-15 US disclosed
US-20040063170-A1 Glucopyranosyloxybenzyl benzene derivatives, medicinal compositions containing the same and intermediates in the production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US disclosed
EP-1367060-A1 GLUCOPYRANOSYLOXYBENZYLBENZENE DERIVATIVES AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2003-12-03 EP disclosed
EP-1344780-A1 GLUCOPYRANOSYLOXYBENZYL BENZENE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES IN THE PRODUCTION THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2003-09-17 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 (3 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-20040138148-A1 Glucopyranosyloxybenzylbenzene derivatives and medicinal use thereof SLC5A2, SLC5A1, SLC2A1 BCHE 2066/4885TYR 1407/4885ACHE 3360/4885
US-20050113315-A1 Glucopyranosyloxybenzylbenzene derivatives, medicinal compositions containing the same and intermediates in the production thereof SLC5A2, SLC5A1, SLC2A2 BCHE 2509/4885TYR 621/4885ACHE 3186/4885
US-20050059614-A1 Glucopyranosyloxybenzylbenzene derivatives, medicinal compositions containing the same and intermediates in the production thereof SLC5A2, SLC5A1, SLC2A2 BCHE 2880/4885TYR 718/4885ACHE 3365/4885

“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.