SCHEMBL754483

SCHEMBL754483

O=C1Oc2ccccc2CC1c1ccccc1O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.46
ADORA3 P0DMS8 1/20 0.46
HSD11B1 P28845 1/20 0.46
AKR1C3 P42330 1/20 0.46
SIRT1 Q96EB6 1/20 0.40
CYP3A4 P08684 1/20 0.39
KLK5 Q9Y337 1/20 0.38
MAOA P21397 4/20 0.38
MAOB P27338 4/20 0.38
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 2/20 0.35
USP2 O75604 1/20 0.35
THRB P10828 1/20 0.35
PPARG P37231 1/20 0.35
GAA P10253 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL28596603 0.81 ALDH1A1 (0.47) SIRT1ALDH1A1MEN1MAPTKMT2A
SCHEMBL29629334 0.81 ALDH1A1 (0.47) SIRT1ALDH1A1MEN1MAPTKMT2A
SCHEMBL2848169 0.81 TP53 (0.42) SIRT1KLK5MAOAMAOBALDH1A1
SCHEMBL28596601 0.81 ALDH1A1 (0.47) SIRT1ALDH1A1MEN1MAPTKMT2A
SCHEMBL31547349 0.78 MAPT (0.46) ADORA3SIRT1CYP3A4KLK5ALDH1A1
SCHEMBL4806205 0.78 MAPT (0.46) ADORA3SIRT1CYP3A4KLK5ALDH1A1
SCHEMBL1711344 0.77 CYP2C9 (0.38) AKR1C3SIRT1KLK5ALDH1A1MAPT
SCHEMBL27893072 0.77 SIRT1 (0.48) ARADORA3SIRT1KLK5MAOA
SCHEMBL72984 0.77 SIRT1 (0.48) ARADORA3SIRT1KLK5MAOA
Charcoal, Activated SCHEMBL2025121 0.76 SIRT1 (0.47) ARADORA3SIRT1KLK5MAOA

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4061765-A LIVER DISORDERS DR. MADAUS & CO. (DT) 1977-12-06 US claimed
US-3994925-A USEFUL TO ANTAGONIZE OR MITIGATE LIVER DAMAGE AND INFLAMMATION DR. MADAUS & CO. (DT) 1976-11-30 US claimed
CN-106511421-B A method of purification milk thistle Flavone class compound 江苏中兴药业有限公司 2019-05-17 CN disclosed
CN-106511421-A Method for refining flavonoid compounds in stems and leaves of silybum marianum 江苏中兴药业有限公司 2017-03-22 CN disclosed
EP-2430017-B1 A method for preparing AMORPHOUS SILIBININ MADAUS GMBH (DE) 2016-06-29 EP disclosed
US-8614341-B2 Amorphous silibinin for the treatment of viral hepatitis EUROMED S.A. (ES) 2013-12-24 US disclosed
EP-2307405-B1 COMPOSITION OF FLAVANOLIGNAN AND AMINO ACID WITH IMPROVED WATER SOLUBILITY AGRA GROUP AS (CZ) 2013-10-02 EP disclosed
US-8426459-B2 Composition of flavanolignan and amino acid with improved water solubility AGRA GROUP, A.S. (CZ) 2013-04-23 US disclosed
US-20120108825-A1 AMORPHOUS SILIBININ FOR THE TREATMENT OF VIRAL HEPATITIS EUROMED S.A. (ES) 2012-05-03 US disclosed
EP-2430017-A1 AMORPHOUS SILIBININ FOR THE TREATMENT OF VIRAL HEPATITIS Euromed SA (ES) 2012-03-21 EP disclosed
US-20110207805-A1 COMPOSITION OF FLAVANOLIGNAN AND AMINO ACID WITH IMPROVED WATER SOLUBILITY AGRA GROUP, A.S. (CZ) 2011-08-25 US disclosed
US-6020384-A SOLID ORAL UNIT DOSAGE FORM; THERAPY OF LIVER DISORDERS MADAUS AG (DE) 2000-02-01 US disclosed
US-5906991-A RELEASING AND ABSORPTION, SUSPENSION AND HEATING DR. MADAUS GMBH & CO (DE) 1999-05-25 US disclosed
US-5714473-A CHEMOTHERAPY; MIXTURE WITH ALKALI METAL CITRATE MADAUS AG (DE) 1998-02-03 US disclosed
US-4871763-A Method of treating liver diseases using pure silibinin DR. MADAUS GMBH & CO. (DE) 1989-10-03 US disclosed
US-4368195-A Method for the extraction of silymarin from plants DR. MADAUS & CO. (DE) 1983-01-11 US disclosed
US-4168318-A LIVER DISORDERS, OXIDATION OF ALCOHOL TO KETONE DR. MADAUS & CO. (DE) 1979-09-18 US disclosed
US-4081529-A EXTRACTS FROM SILYBUM MARIANUM SEEDS, ANTIHEPATOXIC INVERNI DELLA BEFFA S.P.A. (IT) 1978-03-28 US disclosed
US-4061765-A LIVER DISORDERS DR. MADAUS & CO. (DT) 1977-12-06 US disclosed
US-3994925-A USEFUL TO ANTAGONIZE OR MITIGATE LIVER DAMAGE AND INFLAMMATION DR. MADAUS & CO. (DT) 1976-11-30 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 (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 AR 4506/4885ADORA3 3980/4885HSD11B1 2173/4885
US-20110207805-A1 COMPOSITION OF FLAVANOLIGNAN AND AMINO ACID WITH IMPROVED WATER SOLUBILITY BCAT2, BCAT1, TEAD3 AR 3054/4885ADORA3 3563/4885HSD11B1 4564/4885

“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.