SCHEMBL4000091

SCHEMBL4000091

COCOCCc1ccc(Cc2ccc(OC)cc2O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ TP53 P04637 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ USP2 O75604 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ CA12 O43570 4/20 0.45
▸ CA9 Q16790 4/20 0.45
▸ CA1 P00915 3/20 0.45
▸ CA2 P00918 2/20 0.45
▸ MAPT P10636 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL4000094 1.00 CYP3A4 (0.48) CYP3A4MEN1KMT2ATP53CYP2C9
SCHEMBL3996608 0.90 CYP3A4 (0.56) CYP3A4MEN1KMT2ATP53CYP2C9
SCHEMBL3996614 0.90 CYP3A4 (0.56) CYP3A4MEN1KMT2ATP53CYP2C9
SCHEMBL3998434 0.85 MEN1 (0.53) CYP3A4MEN1KMT2ATP53CYP2C9
SCHEMBL3998442 0.85 MEN1 (0.53) CYP3A4MEN1KMT2ATP53CYP2C9
SCHEMBL3998100 0.84 MEN1 (0.47) CYP3A4MEN1KMT2ATP53CYP2C9
SCHEMBL3998092 0.84 MEN1 (0.47) CYP3A4MEN1KMT2ATP53CYP2C9
SCHEMBL4001597 0.83 MEN1 (0.44) CYP3A4MEN1KMT2ATP53CYP2C9
SCHEMBL4001600 0.83 MEN1 (0.44) CYP3A4MEN1KMT2ATP53CYP2C9
SCHEMBL4003295 0.82 MEN1 (0.52) CYP3A4MEN1KMT2ATP53CYP2C9

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 CYP3A4 198/4885MEN1 4399/4885KMT2A 1331/4885
US-20050113315-A1 Glucopyranosyloxybenzylbenzene derivatives, medicinal compositions containing the same and intermediates in the production thereof SLC5A2, SLC5A1, SLC2A2 CYP3A4 306/4885MEN1 4627/4885KMT2A 903/4885
US-20050059614-A1 Glucopyranosyloxybenzylbenzene derivatives, medicinal compositions containing the same and intermediates in the production thereof SLC5A2, SLC5A1, SLC2A2 CYP3A4 337/4885MEN1 4727/4885KMT2A 881/4885

“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.

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