SCHEMBL3999528

SCHEMBL3999528

O=C(OCCCc1ccc(Cc2ccccc2O)cc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.55
TYR P14679 1/20 0.50
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
PRKCG P05129 3/20 0.48
PRKCB P05771 3/20 0.48
PRKCA P17252 3/20 0.48
PRKCE Q02156 3/20 0.48
PRKCD Q05655 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KEAP1 Q14145 1/20 0.47
LMNA P02545 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PRKCH P24723 2/20 0.45
EGFR P00533 1/20 0.45
PRKACA P17612 1/20 0.44
PRKACG P22612 1/20 0.44
PRKACB P22694 1/20 0.44

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
SCHEMBL3999522 0.92 ESR1 (0.60) TDP1TYRESR1ESR2L3MBTL1
SCHEMBL8679047 0.86 TDP1 (0.66) TDP1TYRESR1ESR2L3MBTL1
SCHEMBL8698908 0.83 TDP1 (0.62) TDP1ESR1ESR2L3MBTL1LMNA
SCHEMBL839075 0.82 TDP1 (0.75) TDP1ESR1ESR2L3MBTL1LMNA
SCHEMBL29279716 0.79 TYR (0.74) TDP1TYRESR1ESR2L3MBTL1
SCHEMBL8698807 0.79 TDP1 (0.64) TDP1ESR1ESR2L3MBTL1LMNA
SCHEMBL3821882 0.78 TDP1 (0.79) TDP1ESR1ESR2L3MBTL1LMNA
SCHEMBL4859826 0.77 ESR1 (0.52) TDP1TYRESR1ESR2L3MBTL1
SCHEMBL4004274 0.77 TDP1 (0.47) TDP1TYRESR1ESR2PRKCG
SCHEMBL1129620 0.77 ESR1 (0.82) TDP1ESR1ESR2PRKCGPRKCB

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 11 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-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 (4 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 TDP1 4715/4885TYR 821/4885ESR1 2523/4885
US-20050075294-A1 Glucopyranosyloxybenzylbenzene derivatives, medicinal compositions containing the same and intermediates for the preparation of the derivatives SLC5A2, SLC5A1, SLC2A2 TDP1 4729/4885TYR 688/4885ESR1 1762/4885
US-20040138148-A1 Glucopyranosyloxybenzylbenzene derivatives and medicinal use thereof SLC5A2, SLC5A1, SLC2A1 TDP1 4193/4885TYR 1407/4885ESR1 2454/4885
US-20050080022-A1 Glucopyranosyloxybenzylbenzene derivatives, medicinal compositions containing the same and intermediates for the preparation of the derivatives SLC5A2, SLC5A1, SLC2A2 TDP1 4729/4885TYR 688/4885ESR1 1762/4885

“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.