SCHEMBL1684251

SCHEMBL1684251

COc1ccc(C2Oc3cc(C4Oc5cc(O)cc(O)c5C(=O)C4O)ccc3OC2CO)cc1O

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.86
▸ CYP2C9 P11712 4/20 0.86
▸ SLCO1B3 Q9NPD5 4/20 0.86
▸ SLCO1B1 Q9Y6L6 4/20 0.86
▸ CYP3A4 P08684 4/20 0.86
▸ ALOX15 P16050 4/20 0.86
▸ SLCO2B1 O94956 3/20 0.86
▸ HSD17B10 Q99714 3/20 0.86
▸ ALDH1A1 P00352 2/20 0.86
▸ HPGD P15428 2/20 0.86
▸ KDM4E B2RXH2 2/20 0.86
▸ MEN1 O00255 2/20 0.86
▸ ALOX12 P18054 2/20 0.86
▸ KMT2A Q03164 2/20 0.86
▸ GAA P10253 2/20 0.86
▸ HIF1A Q16665 2/20 0.86
▸ CYP2C19 P33261 1/20 0.86
▸ F2 P00734 1/20 0.86
▸ PLAU P00749 1/20 0.86
▸ TP53 P04637 1/20 0.86

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 0.93 CYP3A4 (1.00) MAPTCYP2C9SLCO1B3SLCO1B1CYP3A4
Silibinin SCHEMBL678427 0.93 CYP3A4 (1.00) MAPTCYP2C9SLCO1B3SLCO1B1CYP3A4
Silibinin SCHEMBL19194836 0.93 CYP3A4 (1.00) MAPTCYP2C9SLCO1B3SLCO1B1CYP3A4
Silibinin SCHEMBL22993978 0.93 CYP3A4 (1.00) MAPTCYP2C9SLCO1B3SLCO1B1CYP3A4
Silybin A SCHEMBL324884 0.93 CYP3A4 (1.00) MAPTCYP2C9SLCO1B3SLCO1B1CYP3A4
Silibinin SCHEMBL24236664 0.93 CYP3A4 (1.00) MAPTCYP2C9SLCO1B3SLCO1B1CYP3A4
Silybin B SCHEMBL751461 0.93 CYP3A4 (1.00) MAPTCYP2C9SLCO1B3SLCO1B1CYP3A4
Silybin A SCHEMBL23466786 0.93 CYP3A4 (1.00) MAPTCYP2C9SLCO1B3SLCO1B1CYP3A4
Silibinin SCHEMBL22398934 0.93 CYP3A4 (1.00) MAPTCYP2C9SLCO1B3SLCO1B1CYP3A4
Isosilybin A SCHEMBL18089487 0.93 CYP3A4 (1.00) MAPTCYP2C9SLCO1B3SLCO1B1CYP3A4

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
EP-2392326-B9 Silibinin component for the treatment of hepatitis MADAUS GMBH (DE) 2018-09-05 — — EP disclosed
EP-2392326-B1 Silibinin component for the treatment of hepatitis MADAUS GMBH (DE) 2018-01-24 — — 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-8614341-B2 Amorphous silibinin for the treatment of viral hepatitis EUROMED S.A. (ES) 2013-12-24 — — US disclosed
US-20130236420-A1 SILIBININ COMPONENT FOR THE TREATMENT OF HEPATITIS MADAUS GMBH (DE) 2013-09-12 — — US disclosed
US-20120108825-A1 AMORPHOUS SILIBININ FOR THE TREATMENT OF VIRAL HEPATITIS EUROMED S.A. (ES) 2012-05-03 — — US disclosed
WO-2011044638-A1 METHOD OF TREATMENT OF LIVER DISEASE HOWARD J. SMITH & ASSOCIATES PTY LTD (AU) 2011-04-21 — — WO disclosed
WO-2010130460-A1 AMORPHOUS SILIBININ FOR THE TREATMENT OF VIRAL HEPATITIS EUROMED S.A. (ES) 2010-11-18 — — WO disclosed
EP-2219642-A1 SILIBININ COMPONENT FOR THE TREATMENT OF HEPATITIS Madaus GmbH (DE) 2010-08-25 — — EP disclosed
WO-2009062737-A1 SILIBININ COMPONENT FOR THE TREATMENT OF HEPATITIS MADAUS GMBH (DE) 2009-05-22 — — 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 (2 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-20120108825-A1 AMORPHOUS SILIBININ FOR THE TREATMENT OF VIRAL HEPATITIS CSTB, PYGL, CCNB1 MAPT 217/4885CYP2C9 1409/4885SLCO1B3 183/4885
US-20130236420-A1 SILIBININ COMPONENT FOR THE TREATMENT OF HEPATITIS VIP, STMN1, PYGL MAPT 3465/4885CYP2C9 3034/4885SLCO1B3 1120/4885

“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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