SCHEMBL971866

SCHEMBL971866

CC(=O)Oc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1OCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREB1 P16220 6/20 0.73
ABCB1 P08183 4/20 0.60
MAPT P10636 3/20 0.60
PPARG P37231 1/20 0.56
PRSS1 P07477 2/20 0.55
PRSS2 P07478 2/20 0.55
PRSS3 P35030 2/20 0.55
SLCO2B1 O94956 1/20 0.55
FLT3 P36888 1/20 0.55
BCHE P06276 1/20 0.55
ACHE P22303 1/20 0.55
ABCG2 Q9UNQ0 1/20 0.54
PTPRS Q13332 2/20 0.53
KDM5A P29375 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 1/20 0.53
GABRP O00591 1/20 0.53
GABRD O14764 1/20 0.53
KDM1A O60341 1/20 0.53

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
SCHEMBL970573 0.92 CREB1 (0.63) CREB1ABCB1MAPTPPARGBCHE
SCHEMBL972006 0.89 CREB1 (0.83) CREB1ABCB1MAPTPPARGPRSS1
SCHEMBL972837 0.88 CREB1 (0.80) CREB1ABCB1MAPTPRSS1PRSS2
SCHEMBL970006 0.86 CREB1 (0.61) CREB1ABCB1MAPTPPARGBCHE
SCHEMBL971995 0.85 CREB1 (1.00) CREB1ABCB1MAPTPPARGPRSS1
SCHEMBL21335353 0.84 CREB1 (0.74) CREB1ABCB1MAPTPPARGPRSS1
SCHEMBL971867 0.84 CREB1 (0.71) CREB1ABCB1MAPTPRSS1PRSS2
SCHEMBL30852784 0.84 CREB1 (0.77) CREB1ABCB1MAPTPPARGPRSS1
Flavone SCHEMBL1019491 0.84 CREB1 (0.73) CREB1ABCB1MAPTPPARGPRSS1
SCHEMBL27797164 0.84 CREB1 (0.76) CREB1ABCB1MAPTPPARGPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 CREB1 2524/4885ABCB1 1/4885MAPT 4867/4885

“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.