SCHEMBL9928630

SCHEMBL9928630

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 6/20 0.71
CYP1A1 P04798 6/20 0.64
CYP1A2 P05177 5/20 0.64
IP6K2 Q9UHH9 3/20 0.64
ABCC1 P33527 2/20 0.64
HDAC6 Q9UBN7 2/20 0.64
KDM1A O60341 1/20 0.64
XDH P47989 1/20 0.64
IPMK Q8NFU5 1/20 0.64
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
ALDH1A1 P00352 2/20 0.61
MAPT P10636 2/20 0.61
POLB P06746 1/20 0.61
PLG P00747 1/20 0.57
OPRD1 P41143 1/20 0.57
FLT3 P36888 2/20 0.57
MAOB P27338 2/20 0.57
MKNK2 Q9HBH9 1/20 0.57
CYP19A1 P11511 1/20 0.57

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
SCHEMBL10018925 0.92 CYP1B1 (0.59) CYP1B1CYP1A1CYP1A2IP6K2ABCC1
SCHEMBL9928629 0.90 ABCB1 (0.59) CYP1B1CYP1A1CYP1A2IP6K2ABCC1
SCHEMBL2485248 0.90 CYP1B1 (0.71) CYP1B1CYP1A1CYP1A2IP6K2ABCC1
SCHEMBL7306096 0.89 CYP1B1 (0.56) CYP1B1CYP1A1CYP1A2IP6K2ABCC1
SCHEMBL28395041 0.88 CYP1A1 (0.61) CYP1B1CYP1A1CYP1A2IP6K2ABCC1
SCHEMBL28390996 0.86 CYP1A1 (0.66) CYP1B1CYP1A1CYP1A2IP6K2ABCC1
SCHEMBL28396149 0.86 CYP1A1 (0.66) CYP1B1CYP1A1CYP1A2IP6K2XDH
SCHEMBL29845342 0.85 CYP1B1 (0.86) CYP1B1CYP1A1CYP1A2IP6K2ABCC1
SCHEMBL1421382 0.85 CYP1B1 (0.86) CYP1B1CYP1A1CYP1A2IP6K2ABCC1
SCHEMBL27907057 0.84 CYP1B1 (0.84) CYP1B1CYP1A1CYP1A2IP6K2ABCC1

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 CYP1B1 2614/4885CYP1A1 2326/4885CYP1A2 2609/4885

“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.