Isosilybin A

Isosilybin A

SCHEMBL18089487

COc1cc(C2Oc3ccc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@H]4O)cc3OC2CO)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 1.00
▸ MAPT P10636 5/20 1.00
▸ CYP2C9 P11712 4/20 1.00
▸ SLCO1B3 Q9NPD5 4/20 1.00
▸ SLCO1B1 Q9Y6L6 4/20 1.00
▸ ALOX15 P16050 4/20 1.00
▸ SLCO2B1 O94956 3/20 1.00
▸ HSD17B10 Q99714 3/20 1.00
▸ ALDH1A1 P00352 2/20 1.00
▸ HPGD P15428 2/20 1.00
▸ KDM4E B2RXH2 2/20 1.00
▸ MEN1 O00255 2/20 1.00
▸ ALOX12 P18054 2/20 1.00
▸ KMT2A Q03164 2/20 1.00
▸ GAA P10253 2/20 1.00
▸ HIF1A Q16665 2/20 1.00
▸ CYP2C19 P33261 1/20 1.00
▸ F2 P00734 1/20 1.00
▸ PLAU P00749 1/20 1.00
▸ TP53 P04637 1/20 1.00

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
Isosilybin A SCHEMBL972938 1.00 CYP3A4 (1.00) CYP3A4MAPTCYP2C9SLCO1B3SLCO1B1
Silybin B SCHEMBL751461 1.00 CYP3A4 (1.00) CYP3A4MAPTCYP2C9SLCO1B3SLCO1B1
Silibinin SCHEMBL678427 1.00 CYP3A4 (1.00) CYP3A4MAPTCYP2C9SLCO1B3SLCO1B1
Silybin A SCHEMBL23466786 1.00 CYP3A4 (1.00) CYP3A4MAPTCYP2C9SLCO1B3SLCO1B1
Silybin A SCHEMBL324884 1.00 CYP3A4 (1.00) CYP3A4MAPTCYP2C9SLCO1B3SLCO1B1
Silibinin SCHEMBL24236664 1.00 CYP3A4 (1.00) CYP3A4MAPTCYP2C9SLCO1B3SLCO1B1
Silibinin SCHEMBL19194836 1.00 CYP3A4 (1.00) CYP3A4MAPTCYP2C9SLCO1B3SLCO1B1
Silibinin SCHEMBL22993978 1.00 CYP3A4 (1.00) CYP3A4MAPTCYP2C9SLCO1B3SLCO1B1
Silibinin SCHEMBL22398934 1.00 CYP3A4 (1.00) CYP3A4MAPTCYP2C9SLCO1B3SLCO1B1
Isosilybin A SCHEMBL4653986 1.00 CYP3A4 (1.00) CYP3A4MAPTCYP2C9SLCO1B3SLCO1B1

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-20230233638-A1 COMPOSITIONS CONTAINING SILYMARIN AND SULFOALKYL ETHER CYCLODEXTRIN AND METHODS OF USING THE SAME UNIVERSITY OF KANSAS 2023-07-27 — — US disclosed
US-20230233638-A1 COMPOSITIONS CONTAINING SILYMARIN AND SULFOALKYL ETHER CYCLODEXTRIN AND METHODS OF USING THE SAME UNIVERSITY OF KANSAS 2023-07-27 — — US disclosed
US-11382944-B2 Compositions containing silymarin and sulfoalkyl ether cyclodextrin and methods of using the same CYDEX PHARMACEUTICALS, INC. (US) 2022-07-12 — — US disclosed
EP-3939582-A1 COMPOSITIONS CONTAINING SILYMARIN AND SULFOALKYL ETHER CYCLODEXTRIN AND METHODS OF USING THE SAME Cydex Pharmaceuticals, Inc. (US) 2022-01-19 — — EP disclosed
EP-3270941-B1 COMPOSITIONS CONTAINING SILYMARIN AND SULFOALKYL ETHER CYCLODEXTRIN AND METHODS OF USING THE SAME CYDEX PHARMACEUTICALS INC (US) 2021-05-26 — — EP disclosed
US-20200330539-A1 COMPOSITIONS CONTAINING SILYMARIN AND SULFOALKYL ETHER CYCLODEXTRIN AND METHODS OF USING THE SAME CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2020-10-22 — — US disclosed
US-10702568-B2 Compositions containing silymarin and sulfoalkyl ether cyclodextrin and methods of using the same CYDEX PHARMACEUTICALS, INC. (US) 2020-07-07 — — US disclosed
US-20180133274-A1 COMPOSITIONS CONTAINING SILYMARIN AND SULFOALKYL ETHER CYCLODEXTRIN AND METHODS OF USING THE SAME CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2018-05-17 — — US disclosed
US-20180133274-A1 COMPOSITIONS CONTAINING SILYMARIN AND SULFOALKYL ETHER CYCLODEXTRIN AND METHODS OF USING THE SAME CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2018-05-17 — — US disclosed
WO-2016149685-A1 COMPOSITIONS CONTAINING SILYMARIN AND SULFOALKYL ETHER CYCLODEXTRIN AND METHODS OF USING THE SAME CYDEX PHARMACEUTICALS, INC. (US) 2016-09-22 — — WO 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-10702568-B2 Compositions containing silymarin and sulfoalkyl ether cyclodextrin and methods of using the same GYS2, SDCBP, PYGL CYP3A4 534/4885MAPT 2098/4885CYP2C9 812/4885
US-11382944-B2 Compositions containing silymarin and sulfoalkyl ether cyclodextrin and methods of using the same GYS2, SDCBP, PYGL CYP3A4 534/4885MAPT 2098/4885CYP2C9 812/4885
US-20230233638-A1 COMPOSITIONS CONTAINING SILYMARIN AND SULFOALKYL ETHER CYCLODEXTRIN AND METHODS OF USING THE SAME GYS2, SDCBP, PYGL CYP3A4 534/4885MAPT 2098/4885CYP2C9 812/4885
US-20200330539-A1 COMPOSITIONS CONTAINING SILYMARIN AND SULFOALKYL ETHER CYCLODEXTRIN AND METHODS OF USING THE SAME GYS2, SDCBP, PYGL CYP3A4 534/4885MAPT 2098/4885CYP2C9 812/4885
US-20180133274-A1 COMPOSITIONS CONTAINING SILYMARIN AND SULFOALKYL ETHER CYCLODEXTRIN AND METHODS OF USING THE SAME GYS2, SDCBP, PYGL CYP3A4 534/4885MAPT 2098/4885CYP2C9 812/4885

“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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