SCHEMBL971797

SCHEMBL971797

CCOc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1OCC

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREB1 P16220 6/20 0.82
EGFR P00533 1/20 0.65
RET P07949 1/20 0.65
KDR P35968 1/20 0.65
PRSS1 P07477 2/20 0.63
PRSS2 P07478 2/20 0.63
PRSS3 P35030 2/20 0.63
FLT3 P36888 2/20 0.63
SLCO2B1 O94956 1/20 0.63
ABCB1 P08183 7/20 0.62
ABCG2 Q9UNQ0 2/20 0.62
PTPRS Q13332 2/20 0.61
KDM4E B2RXH2 3/20 0.57
MAPT P10636 2/20 0.57
ALDH1A1 P00352 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C9 P11712 2/20 0.57
HPGD P15428 2/20 0.57
CYP2C19 P33261 2/20 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
SCHEMBL971224 0.93 CREB1 (0.79) CREB1EGFRRETKDRPRSS1
SCHEMBL972514 0.90 CREB1 (1.00) CREB1EGFRRETKDRPRSS1
SCHEMBL972945 0.88 CREB1 (0.83) CREB1EGFRRETKDRPRSS1
SCHEMBL973627 0.87 CREB1 (0.74) CREB1PRSS1PRSS2PRSS3FLT3
SCHEMBL971035 0.87 ABCB1 (0.79) CREB1EGFRRETKDRPRSS1
SCHEMBL973080 0.86 CREB1 (0.72) CREB1EGFRPRSS1PRSS2PRSS3
SCHEMBL973259 0.85 CREB1 (0.71) CREB1EGFRABCB1
SCHEMBL971876 0.85 CREB1 (0.71) CREB1EGFRABCB1
SCHEMBL972006 0.85 CREB1 (0.83) CREB1EGFRRETKDRPRSS1
SCHEMBL971911 0.84 CREB1 (0.80) CREB1PRSS1PRSS2PRSS3FLT3

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 2524/4885EGFR 839/4885RET 4201/4885

“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.