SCHEMBL4393314

SCHEMBL4393314

CCOC(=O)COc1cc(O)c2c(=O)cc(-c3ccc(OC)c(OC)c3)oc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 3/20 0.67
CYP1A2 P05177 3/20 0.62
ALDH1A1 P00352 2/20 0.62
POLB P06746 2/20 0.62
KDM4E B2RXH2 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
HPGD P15428 1/20 0.62
CYP2C19 P33261 1/20 0.62
PPARG P37231 1/20 0.61
KDM5A P29375 1/20 0.59
EGFR P00533 10/20 0.58
CYP1A1 P04798 2/20 0.58
ABCC1 P33527 2/20 0.58
KDM1A O60341 1/20 0.58
XDH P47989 1/20 0.58
IPMK Q8NFU5 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
IP6K2 Q9UHH9 1/20 0.58
MEN1 O00255 1/20 0.58

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
SCHEMBL10472448 0.97 CYP1A2 (0.63) CYP1B1CYP1A2ALDH1A1POLBKDM4E
SCHEMBL8429583 0.94 CYP1B1 (0.67) CYP1B1CYP1A2ALDH1A1POLBKDM4E
SCHEMBL8429540 0.94 EGFR (0.59) CYP1B1CYP1A2ALDH1A1POLBKDM4E
SCHEMBL4397722 0.92 KDM4E (0.70) CYP1B1CYP1A2ALDH1A1POLBKDM4E
SCHEMBL10473384 0.91 CYP1B1 (0.72) CYP1B1CYP1A2ALDH1A1POLBKDM4E
SCHEMBL8429585 0.91 CYP1B1 (0.56) CYP1B1CYP1A2ALDH1A1POLBKDM4E
SCHEMBL14178914 0.91 CYP1B1 (0.71) CYP1B1CYP1A2ALDH1A1POLBCYP3A4
SCHEMBL8431160 0.90 ALDH1A1 (0.56) CYP1B1CYP1A2ALDH1A1POLBKDM4E
SCHEMBL7306885 0.90 CYP1B1 (0.54) CYP1B1CYP1A2ALDH1A1POLBKDM4E
SCHEMBL8427276 0.89 CYP1B1 (0.56) CYP1B1CYP1A2ALDH1A1POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660074-B1 7-CARBOXYMETHYLOXY-3 , 4 , 5-TRIMETHOXY FLAVONE MONOHYD RATE, THE PREPARATION METHOD AND USES THEREOF DONG A PHARM CO LTD (KR) 2009-12-16 EP disclosed
EP-2065375-A1 A process for the preparation of 7-carboxymethyloxy-3',4', 5-trimethoxy flavone Dong-A Pharmaceutical Co., Ltd. (KR) 2009-06-03 EP 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-20060178428-A1 7-Carboxymethyloxy-3',4',5-trimethoxy flavone monohydrate, the preparation method and uses thereof DONG-A PHARMACEUTICAL CO., LTD (KR) 2006-08-10 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-20060178428-A1 7-Carboxymethyloxy-3',4',5-trimethoxy flavone monohydrate, the preparation method and uses thereof SI, MLN, TET2 CYP1B1 680/4885CYP1A2 233/4885ALDH1A1 1642/4885

“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.