SCHEMBL382207

SCHEMBL382207

COc1ccc(C2CC(=O)c3c(cc(OC)c(OC)c3O)O2)cc1O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R31 P59538 1/20 0.79
CYP19A1 P11511 3/20 0.72
TP53 P04637 2/20 0.72
CYP3A4 P08684 2/20 0.72
XDH P47989 2/20 0.72
NPC1 O15118 2/20 0.72
RAB9A P51151 2/20 0.72
CYP1A1 P04798 2/20 0.72
CYP1A2 P05177 2/20 0.72
CYP1B1 Q16678 2/20 0.72
MAPT P10636 2/20 0.72
KDM1A O60341 2/20 0.72
ALDH1A1 P00352 2/20 0.72
ATM Q13315 2/20 0.72
HPGD P15428 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
PKM P14618 1/20 0.72
CA12 O43570 1/20 0.72
CYP2D6 P10635 1/20 0.72
CYP2C9 P11712 1/20 0.72

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
SCHEMBL905614 0.86 NPC1 (0.73) TAS2R31CYP19A1TP53CYP3A4XDH
SCHEMBL12067074 0.86 TAS2R31 (0.83) TAS2R31CYP19A1CYP3A4NPC1RAB9A
SCHEMBL12067047 0.85 TAS2R31 (0.81) TAS2R31CYP19A1TP53CYP3A4XDH
Hamiltone B SCHEMBL29446946 0.85 TAS2R31 (0.67) TAS2R31CYP19A1TP53CYP3A4XDH
Hesperetin SCHEMBL765368 0.84 CYP19A1 (1.00) TAS2R31CYP19A1TP53CYP3A4XDH
Hesperetin SCHEMBL31689737 0.84 CYP19A1 (1.00) TAS2R31CYP19A1TP53CYP3A4XDH
Hesperetin SCHEMBL20929082 0.84 CYP19A1 (1.00) TAS2R31CYP19A1TP53CYP3A4XDH
Hesperetin SCHEMBL29484563 0.84 CYP19A1 (1.00) TAS2R31CYP19A1TP53CYP3A4XDH
Hesperetin SCHEMBL39833 0.84 CYP19A1 (1.00) TAS2R31CYP19A1TP53CYP3A4XDH
SCHEMBL2124058 0.84 CYP19A1 (0.68) TAS2R31CYP19A1TP53CYP3A4XDH

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-20170360744-A1 AGENT CONTAINING FLAVONOID DERIVATIVES FOR TREATING CANCER AND INFLAMMATION FLAVOCURE BIOTECH INC. 2017-12-21 US disclosed
EP-1503773-B9 HEPATOPROTECTIVE ACTIVITY OF 2 -P-HYDROXYBENZOYLMUSSAENOSIDIC ACID COUNCIL SCIENT IND RES (IN) 2012-01-25 EP disclosed
EP-1503773-B1 HEPATOPROTECTIVE ACTIVITY OF 2 -P-HYDROXYBENZOYLMUSSAENOSIDIC ACID COUNCIL SCIENT IND RES (IN) 2011-03-30 EP disclosed
EP-1509223-B1 HEPATOPROTECTIVE ACTIVITY OF 10-O-P-HYDROXYBENZOYIAUCUBIN COUNCIL SCIENT IND RES (IN) 2008-08-20 EP disclosed
US-7259148-B2 Hepatoprotective activity of 2′-p-hydroxybenzoylmussaenosidic acid COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2007-08-21 US disclosed
EP-1509223-A1 HEPATOPROTECTIVE ACTIVITY OF 10-O-P-HYDROXYBENZOYIAUCUBIN Council Of Scientific And Industrial Research (IN) 2005-03-02 EP disclosed
EP-1503773-A1 HEPATOPROTECTIVE ACTIVITY OF 2 -P-HYDROXYBENZOYLMUSSAENOSIDIC ACID Council of Scientific and Industrial Research (IN) 2005-02-09 EP disclosed
US-20040029816-A1 Hepatoprotective activity of 10-O-P-hydroxybenzoyiaucubin COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2004-02-12 US disclosed
US-20040014684-A1 Hepatoprotective activity of 2'-p-hydroxybenzoylmussaenosidic COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-01-22 US disclosed
WO-2003094946-A1 HEPATOPROTECTIVE ACTIVITY OF 2'-P-HYDROXYBENZOYLMUSSAENOSIDIC ACID COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-11-20 WO disclosed
WO-2003094911-A1 HEPATOPROTECTIVE ACTIVITY OF 10-O-P-HYDROXYBENZOYIAUCUBIN COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-11-20 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 (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-20170360744-A1 AGENT CONTAINING FLAVONOID DERIVATIVES FOR TREATING CANCER AND INFLAMMATION TNF, NLRP3, F3 TAS2R31 2271/4885CYP19A1 78/4885TP53 70/4885

“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.