Silibinin

Silibinin

SCHEMBL22398934

COc1cc(C2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3OC2CO)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
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
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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230330019-A1 EMULSION FORMULATIONS OF POORLY WATER-SOLUBLE COMPOUNDS MENNING MARK MICHAEL (US) 2023-10-19 — — US disclosed
US-20230330019-A1 EMULSION FORMULATIONS OF POORLY WATER-SOLUBLE COMPOUNDS MENNING MARK MICHAEL (US) 2023-10-19 — — US disclosed
US-11306076-B2 Silibinin lipoic acid ester with hepatoprotective activity and a method of preparing the same XI'AN TAIKOMED PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2022-04-19 — — US disclosed
WO-2021234200-A1 BINARY COMPLEX OF AN ORGANIC ZINC CHELATE AND FLAVONOIDS AND COMPOSITION COMPRISING IT FOR STIMULATING THE IMMUNE SYSTEM AND ENHANCING RESISTANCE TO VIRAL OR BACTERIAL INFECTIOUS DISEASES UNIVERSIDAD DE VALLADOLID (ES) 2021-11-25 — — WO disclosed
US-20210347767-A1 SILIBININ LIPOIC ACID ESTER WITH HEPATOPROTECTIVE ACTIVITY AND A METHOD OF PREPARING THE SAME SHAANXI UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2021-11-11 — — US disclosed
US-20210171883-A1 ANTIVIRAL WIPER FUJIFILM CORPORATION (JP) 2021-06-10 — — US disclosed
US-10766885-B1 Silibinin 3,3′-thiodipropionic acid ester with hepatoprotective activity and a method of preparing the same SHAANXI UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2020-09-08 — — US disclosed
US-8569358-B2 Use of silymarin and/or constituents thereof as skin or hair pigmentation promoters GREENPHARMA (FR) 2013-10-29 — — US disclosed
US-8569358-B2 Use of silymarin and/or constituents thereof as skin or hair pigmentation promoters GREENPHARMA (FR) 2013-10-29 — — US 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20210347767-A1 SILIBININ LIPOIC ACID ESTER WITH HEPATOPROTECTIVE ACTIVITY AND A METHOD OF PREPARING THE SAME FABP1, LIPC, FABP2 CYP3A4 845/4885MAPT 4388/4885CYP2C9 900/4885
US-20210171883-A1 ANTIVIRAL WIPER CGAS, PRKX, PDE4C CYP3A4 4047/4885MAPT 4519/4885CYP2C9 4443/4885
US-11306076-B2 Silibinin lipoic acid ester with hepatoprotective activity and a method of preparing the same FABP1, LIPC, FABP2 CYP3A4 845/4885MAPT 4388/4885CYP2C9 900/4885
US-20230330019-A1 EMULSION FORMULATIONS OF POORLY WATER-SOLUBLE COMPOUNDS CUTA, SUCLG1, TYR CYP3A4 3078/4885MAPT 207/4885CYP2C9 614/4885
US-10766885-B1 Silibinin 3,3′-thiodipropionic acid ester with hepatoprotective activity and a method of preparing the same FABP1, FABP2, TST CYP3A4 292/4885MAPT 3998/4885CYP2C9 517/4885
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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