SCHEMBL971867

SCHEMBL971867

CC(=O)Oc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1Oc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREB1 P16220 6/20 0.71
FLT3 P36888 2/20 0.58
PRSS1 P07477 2/20 0.58
PRSS2 P07478 2/20 0.58
PRSS3 P35030 2/20 0.58
SLCO2B1 O94956 1/20 0.58
ABCB1 P08183 5/20 0.57
ABCG2 Q9UNQ0 2/20 0.57
PTPRS Q13332 2/20 0.56
MAPT P10636 4/20 0.53
CYP3A4 P08684 3/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HSD17B10 Q99714 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
MEN1 O00255 1/20 0.53
GABRP O00591 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
SCHEMBL970574 0.91 CREB1 (0.64) CREB1FLT3PRSS1PRSS2PRSS3
SCHEMBL972837 0.91 CREB1 (0.80) CREB1FLT3PRSS1PRSS2PRSS3
SCHEMBL5570654 0.89 CREB1 (0.62) CREB1FLT3PRSS1PRSS2PRSS3
SCHEMBL970007 0.85 CREB1 (0.65) CREB1FLT3PRSS1PRSS2PRSS3
SCHEMBL972738 0.85 CREB1 (0.70) CREB1FLT3PRSS1PRSS2PRSS3
SCHEMBL971866 0.84 CREB1 (0.73) CREB1FLT3PRSS1PRSS2PRSS3
SCHEMBL972407 0.83 CREB1 (1.00) CREB1FLT3PRSS1PRSS2PRSS3
SCHEMBL971997 0.83 CREB1 (0.75) CREB1FLT3PRSS1PRSS2PRSS3
SCHEMBL971180 0.82 CREB1 (0.66) CREB1FLT3PRSS1PRSS2PRSS3
SCHEMBL22966699 0.81 CREB1 (0.82) CREB1FLT3PRSS1PRSS2PRSS3

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 2524/4885FLT3 3625/4885PRSS1 1654/4885

“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.