SCHEMBL2485835

SCHEMBL2485835

COc1ccc(-c2cc(=O)c3c(OC)cc(O)cc3o2)cc1OC

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 6/20 0.83
POLH Q9Y253 1/20 0.79
CYP1A1 P04798 5/20 0.71
CYP1A2 P05177 4/20 0.71
MEN1 O00255 4/20 0.71
KMT2A Q03164 4/20 0.71
ALDH1A1 P00352 3/20 0.71
ABCC1 P33527 2/20 0.71
HDAC6 Q9UBN7 2/20 0.71
IP6K2 Q9UHH9 2/20 0.71
MAPT P10636 2/20 0.71
KDM1A O60341 1/20 0.71
XDH P47989 1/20 0.71
IPMK Q8NFU5 1/20 0.71
POLB P06746 1/20 0.71
OPRD1 P41143 1/20 0.70
TP53 P04637 3/20 0.68
ABCB1 P08183 2/20 0.68
MDM2 Q00987 1/20 0.68
ABCG2 Q9UNQ0 1/20 0.68

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
SCHEMBL4321016 0.91 CYP1B1 (0.86) CYP1B1POLHCYP1A1CYP1A2MEN1
SCHEMBL30410973 0.91 CYP1B1 (0.86) CYP1B1POLHCYP1A1CYP1A2MEN1
SCHEMBL2483636 0.91 CYP1B1 (1.00) CYP1B1POLHCYP1A1CYP1A2MEN1
SCHEMBL30365934 0.91 CYP1B1 (1.00) CYP1B1POLHCYP1A1CYP1A2MEN1
SCHEMBL29883103 0.91 CYP1B1 (1.00) CYP1B1POLHCYP1A1CYP1A2MEN1
SCHEMBL2874033 0.89 POLH (0.79) CYP1B1POLHCYP1A1CYP1A2MEN1
SCHEMBL2322974 0.88 POLH (1.00) CYP1B1POLHCYP1A1CYP1A2MEN1
SCHEMBL30255788 0.88 POLH (1.00) CYP1B1POLHCYP1A1CYP1A2MEN1
SCHEMBL4279323 0.87 ABCB1 (0.80) CYP1B1POLHCYP1A1CYP1A2MEN1
SCHEMBL5135091 0.86 MAOA (0.82) CYP1B1POLHCYP1A1CYP1A2MEN1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9669003-B2 Use of flavone and flavanone derivatives in preparation of sedative and hypnotic drugs JIN YONGRI (CN) 2017-06-06 US claimed
US-20150196529-A1 USE OF FLAVONE AND FLAVANONE DERIVATIVES IN PREPARATION OF SEDATIVE AND HYPNOTIC DRUGS JIN YONGRI (CN) 2015-07-16 US claimed
US-9669003-B2 Use of flavone and flavanone derivatives in preparation of sedative and hypnotic drugs JIN YONGRI (CN) 2017-06-06 US disclosed
CN-105497005-A Application of flavonoid compound in treatment of inflammatory diseases INST BOTANY JIANGSU PROVINCE & CAS 2016-04-20 CN disclosed
US-20150196529-A1 USE OF FLAVONE AND FLAVANONE DERIVATIVES IN PREPARATION OF SEDATIVE AND HYPNOTIC DRUGS JIN YONGRI (CN) 2015-07-16 US disclosed
CN-101601760-B Application of murraya jasminorage leaf total flavonoids in preparing medicaments for treating diabetes CHANGCHUN RUIDE MEDICINE TECHNOLOGY CO LTD 2013-08-14 CN disclosed
US-8203011-B2 3′,4′,5-trimethoxy flavone derivatives as stimulant of mucus secretion, method for the same, and pharmaceutical composition comprising the same DONG-A PHARM. CO., LTD. (KR) 2012-06-19 US disclosed
US-8203011-B2 3′,4′,5-trimethoxy flavone derivatives as stimulant of mucus secretion, method for the same, and pharmaceutical composition comprising the same DONG-A PHARM. CO., LTD. (KR) 2012-06-19 US disclosed
US-8203011-B2 3′,4′,5-trimethoxy flavone derivatives as stimulant of mucus secretion, method for the same, and pharmaceutical composition comprising the same DONG-A PHARM. CO., LTD. (KR) 2012-06-19 US disclosed
EP-2170857-B1 3',4',5-TRIMETHOXY FLAVONE DERIVATIVES AS STIMULANT OF MUCUS SECRETION, METHOD OF THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG A PHARM CO LTD (KR) 2011-10-19 EP disclosed
US-20100130448-A1 3',4',5-TRIMETHOXY FLAVONE DERIVATIVES AS STIMULATN OF MUCUS SECRETION, METHOD FOR THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG-A PHARM. CO., LTD (KR) 2010-05-27 US disclosed
US-20100130448-A1 3',4',5-TRIMETHOXY FLAVONE DERIVATIVES AS STIMULATN OF MUCUS SECRETION, METHOD FOR THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG-A PHARM. CO., LTD (KR) 2010-05-27 US disclosed
US-20100130448-A1 3',4',5-TRIMETHOXY FLAVONE DERIVATIVES AS STIMULATN OF MUCUS SECRETION, METHOD FOR THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG-A PHARM. CO., LTD (KR) 2010-05-27 US disclosed
EP-2170857-A2 3',4',5-TRIMETHOXY FLAVONE DERIVATIVES AS STIMULANT OF MUCUS SECRETION, METHOD OF THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Dong-A Pharm.Co., Ltd. (KR) 2010-04-07 EP disclosed
CN-101380379-A Total flavone in leaves of Murraya paniculata (L.) Jack and preparation method and use thereof YONGRI JIN (CN) 2009-03-11 CN disclosed
WO-2008150085-A2 3',4',5-TRIMETHOXY FLAVONE DERIVATIVES AS STIMULANT OF MUCUS SECRETION, METHOD OF THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG-A PHARM. CO., LTD. (KR) 2008-12-11 WO disclosed
US-7371775-B2 7-carboxymethyloxy-3′,4′,5-trimethoxy flavone monohydrate, the preparation method and uses thereof DONG-A PHARMACEUTICALS CO., LTD (KR) 2008-05-13 US disclosed
US-7371775-B2 7-carboxymethyloxy-3′,4′,5-trimethoxy flavone monohydrate, the preparation method and uses thereof DONG-A PHARMACEUTICALS CO., LTD (KR) 2008-05-13 US disclosed
EP-0915864-B1 GASTROPROTECTIVE FLAVONE/FLAVANONE COMPOUNDS WITH THERAPEUTIC EFFECT ON INFLAMMATORY BOWEL DISEASE DONG A PHARM CO LTD (KR) 2002-09-04 EP disclosed
US-6025387-A Gastroprotective flavone/flavanone compounds with therapeutic effect on inflammatory bowel disease DONG A PHARMACEUTICAL CO., LTD. (KR) 2000-02-15 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-20150196529-A1 USE OF FLAVONE AND FLAVANONE DERIVATIVES IN PREPARATION OF SEDATIVE AND HYPNOTIC DRUGS CYP2D6, GATAD2A, CYP3A43 CYP1B1 135/4885POLH 4158/4885CYP1A1 59/4885
US-20100130448-A1 3',4',5-TRIMETHOXY FLAVONE DERIVATIVES AS STIMULATN OF MUCUS SECRETION, METHOD FOR THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TLR5, PTN, TSLP CYP1B1 2614/4885POLH 4231/4885CYP1A1 2326/4885

“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.