SCHEMBL9928629

SCHEMBL9928629

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 6/20 0.59
ABCG2 Q9UNQ0 4/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
TP53 P04637 1/20 0.59
MDM2 Q00987 1/20 0.59
MAOB P27338 5/20 0.56
CYP1B1 Q16678 4/20 0.56
CYP1A1 P04798 3/20 0.55
CYP1A2 P05177 2/20 0.55
OPRD1 P41143 1/20 0.55
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
HDAC6 Q9UBN7 2/20 0.54
CYP3A4 P08684 2/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
MAPK1 P28482 2/20 0.51

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
SCHEMBL10018924 0.91 ABCB1 (0.56) ABCB1ABCG2MEN1KMT2ATP53
SCHEMBL9928630 0.90 CYP1B1 (0.71) ABCB1ABCG2MEN1KMT2ATP53
SCHEMBL2484718 0.89 MAOB (0.70) ABCB1ABCG2MEN1KMT2ATP53
Tetramethylluteolin SCHEMBL29572571 0.84 ABCB1 (0.80) ABCB1ABCG2MEN1KMT2ATP53
Tetramethylluteolin SCHEMBL1421511 0.84 ABCB1 (0.80) ABCB1ABCG2MEN1KMT2ATP53
Tetramethylluteolin SCHEMBL29725288 0.84 ABCB1 (0.80) ABCB1ABCG2MEN1KMT2ATP53
SCHEMBL7603349 0.84 BRD4 (0.64) ABCB1ABCG2MEN1KMT2ATP53
SCHEMBL8859633 0.83 MAOB (0.66) ABCB1ABCG2MEN1KMT2ATP53
Recoflavone SCHEMBL2483546 0.83 ABCB1 (0.58) ABCB1ABCG2MEN1KMT2ATP53
SCHEMBL2482116 0.83 ABCB1 (0.60) ABCB1ABCG2MEN1KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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-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 ABCB1 2160/4885ABCG2 2218/4885MEN1 3352/4885

“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.