Isosilybin A

Isosilybin A

SCHEMBL972938

COc1cc(C2Oc3ccc(C4Oc5cc(O)cc(O)c5C(=O)C4O)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 SCHEMBL18089487 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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4617293-A Flavonoid phosphate salts of aminoglycoside antibiotics MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1986-10-14 — — US claimed
CN-115721640-A Application of isosilybin in preparing medicament for treating osteosarcoma 中国科学院长春应用化学研究所 2023-03-03 — — CN disclosed
EP-2392326-B9 Silibinin component for the treatment of hepatitis MADAUS GMBH (DE) 2018-09-05 — — EP disclosed
EP-3160483-B1 MILK THISTLE EXTRACT OF FRUIT SHELLS OF SILYBUM MARIANUM, PROCESS OF MANUFACTURE AND USE BIONORICA SE (DE) 2018-02-28 — — EP disclosed
EP-2392326-B1 Silibinin component for the treatment of hepatitis MADAUS GMBH (DE) 2018-01-24 — — EP disclosed
EP-3160483-A1 MILK THISTLE EXTRACT FROM THE FRUIT PEELS OF MILK THISTLE, METHOD FOR PRODUCTION AND USE THEREOF Bionorica SE (DE) 2017-05-03 — — EP disclosed
EP-2430017-B1 A method for preparing AMORPHOUS SILIBININ MADAUS GMBH (DE) 2016-06-29 — — EP disclosed
US-9248115-B2 Silibinin component for the treatment of hepatitis MADAUS GMBH (DE) 2016-02-02 — — US disclosed
US-9248115-B2 Silibinin component for the treatment of hepatitis MADAUS GMBH (DE) 2016-02-02 — — US disclosed
WO-2015197854-A1 MILK THISTLE EXTRACT FROM THE FRUIT PEELS OF MILK THISTLE, METHOD FOR PRODUCTION AND USE THEREOF BIONORICA SE (DE) 2015-12-30 — — WO disclosed
US-20090041866-A1 ABNORMAL PROTEIN REMOVING COMPOSITION FANCL CORPORATION (JP) 2009-02-12 — — US disclosed
EP-1845935-B1 USE OF SILYMARINE AND/OR THE CONSTITUENTS THEREOF AS PROMOTERS OF THE PIGMENTATION OF THE SKIN OR HAIR GREENPHARMA SAS (FR) 2008-11-19 — — EP disclosed
US-20080033037-A1 Utilisation de la silymarine et/ou de ses constituants comme agents promoteur de la pigmentation de la peau ou des cheveux GREENPHARMA (FR) 2008-02-07 — — US disclosed
EP-1813309-A1 ABNORMAL PROTEIN REMOVING COMPOSITION Fancl Corporation (JP) 2007-08-01 — — EP disclosed
US-20060233738-A1 Composition for promoting production of type 1 collagen and/or elastin FANCL CORPORATION (JP) 2006-10-19 — — US disclosed
CN-1679542-A Frozen powder injection of silybin and its preparing method LUYE NATURAL MEDICINE RES DEVE (CN) 2005-10-12 — — CN disclosed
EP-1286706-A2 GAMMA IRRADIATION OF PROTEIN-BASED PHARMACEUTICAL PRODUCTS The American National Red Cross (US) 2003-03-05 — — EP disclosed
WO-2001087357-A2 GAMMA IRRADIATION OF PROTEIN-BASED PHARMACEUTICAL PRODUCTS THE AMERICAN NATIONAL RED CROSS (US) 2001-11-22 — — WO disclosed
WO-1993025550-A1 NOVEL BIOLOGICALLY ACTIVE EBURNAMENINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME RICHETER GEDEON VEGYÉSZETI GYÁR RT. (HU) 1993-12-23 — — WO disclosed
US-4617293-A Flavonoid phosphate salts of aminoglycoside antibiotics MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1986-10-14 — — US 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 (1 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-20080033037-A1 Utilisation de la silymarine et/ou de ses constituants comme agents promoteur de la pigmentation de la peau ou des cheveux TES, NISCH, STMN2 CYP3A4 1477/4885MAPT 2016/4885CYP2C9 2154/4885

“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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