SCHEMBL754484

SCHEMBL754484

O=C1Oc2ccccc2CC1(O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
HDAC9 Q9UKV0 1/20 0.36
HTR2A P28223 4/20 0.34
HRH1 P35367 4/20 0.34
HTR2B P41595 2/20 0.34
HTR2C P28335 1/20 0.34
MAP3K14 Q99558 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CFTR P13569 1/20 0.32
GOPC Q9HD26 1/20 0.32

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
SCHEMBL29133215 0.79 MAOA (0.45) MAOAMAOBHDAC9HTR2AHRH1
SCHEMBL21248511 0.77 MAOB (0.38) MAOAMAOBHDAC9HTR2AHRH1
SCHEMBL17867147 0.73 ALDH1A1 (0.37) MAOAMAOBALDH1A1
SCHEMBL2985677 0.73 MAOA (0.35) MAOAMAOBHDAC9HTR2AHRH1
SCHEMBL12083436 0.72 SMN1; SMN2 (0.39) MAOAMAOBHTR2AHRH1HTR2B
SCHEMBL7783926 0.72 MAOA (0.43) MAOAMAOBNFKB1NFKB2RELA
SCHEMBL31015957 0.72 MAOA (0.43) MAOAMAOBHTR2AHRH1HTR2B
SCHEMBL28616256 0.72 MAOA (0.43) MAOAMAOBHTR2AHRH1HTR2B
SCHEMBL29798795 0.72 MAOA (0.43) MAOAMAOBNFKB1NFKB2RELA
SCHEMBL5138520 0.71 MAOA (0.36) MAOAMAOBHTR2AHRH1HTR2B

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 28 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
US-20240298592-A1 USE OF HIGHER ALIPHATIC ALCOHOL IN IMPROVING NITROGEN FIXING CAPACITY AND DROUGHT RESISTANCE CAPACITY OF LEGUMES ZHUHAI RUNNONG SCIENCE AND TECHNOLOGY CO. LTD (CN) 2024-09-12 US disclosed
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-20120204289-A1 Manipulation of flavonoid biosynthetic pathway AGRICULTURE VICTORIA SERVICES PTY LTD. (AU) 2012-08-09 US disclosed
US-20120108825-A1 AMORPHOUS SILIBININ FOR THE TREATMENT OF VIRAL HEPATITIS EUROMED S.A. (ES) 2012-05-03 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 MAOA 4045/4885MAOB 713/4885HDAC9 3304/4885
US-20240298592-A1 USE OF HIGHER ALIPHATIC ALCOHOL IN IMPROVING NITROGEN FIXING CAPACITY AND DROUGHT RESISTANCE CAPACITY OF LEGUMES MYB, LPCAT1, LPCAT3 MAOA 1581/4885MAOB 1140/4885HDAC9 4177/4885

“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.