SCHEMBL973627

SCHEMBL973627

CCCCOc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1OCCCC

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CREB1 P16220 4/20 0.74
ABCB1 P08183 2/20 0.69
SLCO2B1 O94956 1/20 0.60
PRSS1 P07477 1/20 0.60
PRSS2 P07478 1/20 0.60
PRSS3 P35030 1/20 0.60
FLT3 P36888 1/20 0.60
ABCG2 Q9UNQ0 1/20 0.58
PTPRS Q13332 1/20 0.57

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
SCHEMBL973080 0.97 CREB1 (0.72) CREB1ABCB1SLCO2B1PRSS1PRSS2
SCHEMBL971876 0.96 CREB1 (0.71) CREB1ABCB1
SCHEMBL973259 0.96 CREB1 (0.71) CREB1ABCB1
SCHEMBL972945 0.94 CREB1 (0.83) CREB1ABCB1SLCO2B1PRSS1PRSS2
SCHEMBL971911 0.88 CREB1 (0.80) CREB1ABCB1SLCO2B1PRSS1PRSS2
SCHEMBL972759 0.88 ABCB1 (0.89) CREB1ABCB1ABCG2
SCHEMBL971797 0.87 CREB1 (0.82) CREB1ABCB1SLCO2B1PRSS1PRSS2
SCHEMBL970349 0.85 CREB1 (1.00) CREB1ABCB1SLCO2B1PRSS1PRSS2
SCHEMBL973395 0.84 ABCB1 (0.87) ABCB1
SCHEMBL974036 0.83 ABCB1 (0.85) ABCB1

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 1/4885SLCO2B1 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.