SCHEMBL972002

SCHEMBL972002

O=c1c(OCc2ccccc2)c(-c2ccccc2)oc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.68
GAA P10253 2/20 0.68
KCNA3 P22001 1/20 0.67
KMT2A Q03164 3/20 0.65
HSD17B10 Q99714 1/20 0.65
ABCG2 Q9UNQ0 6/20 0.64
PPARG P37231 1/20 0.58
ALDH1A1 P00352 5/20 0.57
MEN1 O00255 2/20 0.57
LMNA P02545 2/20 0.57
MAPT P10636 1/20 0.57
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
DDR2 Q16832 1/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
TP53 P04637 1/20 0.55
ABCB1 P08183 1/20 0.55
CYP3A4 P08684 1/20 0.55

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
SCHEMBL15231797 0.92 KDM4E (0.62) KDM4EGAAKCNA3KMT2AHSD17B10
SCHEMBL28565701 0.92 ABCG2 (0.69) KDM4EGAAKCNA3KMT2AHSD17B10
SCHEMBL30558216 0.91 ABCG2 (0.59) KDM4EGAAKCNA3KMT2AHSD17B10
SCHEMBL21647139 0.91 ABCG2 (0.61) KDM4EGAAKCNA3KMT2AHSD17B10
SCHEMBL29080561 0.91 ABCG2 (0.59) KDM4EGAAKCNA3KMT2AHSD17B10
SCHEMBL8782475 0.91 ALDH1A1 (0.68) KDM4EGAAKCNA3KMT2AHSD17B10
SCHEMBL30758496 0.88 KDM4E (0.65) KDM4EGAAKCNA3KMT2AHSD17B10
SCHEMBL29137753 0.88 KDM4E (0.65) KDM4EGAAKCNA3KMT2AHSD17B10
SCHEMBL29080542 0.87 ABCG2 (0.58) KDM4EGAAKCNA3KMT2AHSD17B10
SCHEMBL30558208 0.87 ABCG2 (0.56) KDM4EGAAKCNA3KMT2AHSD17B10

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
CN-104311518-B A kind of preparation method of 6-methyl scutellarin genin 南京中医药大学 2016-07-13 CN disclosed
US-7875650-B2 Baicalein analogs; enhances bioavailability of active compounds, especially orally administered compounds, by inhibition of P-glycoprotein 170 (P-gp 170) and/or CYP450 enzyme; 6-Acetoxy-5,7-dihydroxyflavone YALE UNIVERSITY (US) 2011-01-25 US disclosed
CN-101768146-A Method for preparing benzoyl-flavone SUOPING XU 2010-07-07 CN disclosed
US-20070161605-A1 Compounds and methods to increase anti-p-glycoprotein activity of baicalein by alkylation on the a ring YALE UNIVERSITY (US) 2007-07-12 US disclosed
WO-2005075449-A1 COMPOUNDS AND METHODS TO INCREASE ANTI-P-GLYCOPROTEIN ACTIVITY OF BAICALEIN BY ALKYLATION ON THE A RING YALE UNIVERSITY (US) 2005-08-18 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-20070161605-A1 Compounds and methods to increase anti-p-glycoprotein activity of baicalein by alkylation on the a ring ABCB1, ABCB11, ABCG2 KDM4E 2696/4885GAA 1465/4885KCNA3 1433/4885

“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.