SCHEMBL972511

SCHEMBL972511

COc1c2c(cc3oc(-c4ccccc4)cc(=O)c13)OC(c1ccccc1)(c1ccccc1)O2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 7/20 0.61
ABCB1 P08183 5/20 0.61
SLCO2B1 O94956 1/20 0.54
PRSS1 P07477 1/20 0.54
PRSS2 P07478 1/20 0.54
CREB1 P16220 1/20 0.54
PRSS3 P35030 1/20 0.54
FLT3 P36888 1/20 0.54
PTPRS Q13332 1/20 0.52
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 5/20 0.51
CYP3A4 P08684 4/20 0.51
MAPT P10636 4/20 0.51
TP53 P04637 3/20 0.51
NPC1 O15118 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
RAB9A P51151 1/20 0.51
CYP2C19 P33261 3/20 0.50

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
SCHEMBL974544 0.78 ABCB1 (0.61) ABCG2ABCB1SLCO2B1PRSS1PRSS2
SCHEMBL17265616 0.76 ABCB1 (0.81) ABCG2ABCB1SLCO2B1PRSS1PRSS2
Baicalein Trimethyl Ether SCHEMBL971297 0.76 ABCB1 (0.80) ABCG2ABCB1SLCO2B1PRSS1PRSS2
SCHEMBL8064245 0.73 CREB1 (0.83) ABCG2ABCB1SLCO2B1PRSS1PRSS2
SCHEMBL28645437 0.73 ABCB1 (0.76) ABCG2ABCB1SLCO2B1PRSS1PRSS2
Pinnatin SCHEMBL21828759 0.73 CYP3A4 (0.67) ABCG2ABCB1SLCO2B1PRSS1PRSS2
SCHEMBL17663637 0.72 CREB1 (0.81) ABCG2ABCB1SLCO2B1PRSS1PRSS2
SCHEMBL28660389 0.72 KDM4E (0.81) ABCG2ABCB1SLCO2B1PRSS1PRSS2
SCHEMBL30606765 0.72 KDM4E (0.81) ABCG2ABCB1SLCO2B1PRSS1PRSS2
Mosloflavone SCHEMBL971985 0.72 KDM4E (0.81) ABCG2ABCB1SLCO2B1PRSS1PRSS2

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 ABCG2 3/4885ABCB1 1/4885SLCO2B1 51/4885

“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.