SCHEMBL972407

SCHEMBL972407

CC(=O)Oc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREB1 P16220 6/20 1.00
FLT3 P36888 3/20 0.76
PRSS1 P07477 2/20 0.76
PRSS2 P07478 2/20 0.76
PRSS3 P35030 2/20 0.76
SLCO2B1 O94956 1/20 0.76
PTPRS Q13332 2/20 0.72
ABCB1 P08183 6/20 0.66
MAPT P10636 5/20 0.66
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
GABRP O00591 2/20 0.66
GABRD O14764 2/20 0.66
GABRA1 P14867 2/20 0.66
GABRB1 P18505 2/20 0.66
GABRG2 P18507 2/20 0.66
GABRB3 P28472 2/20 0.66
GABRA5 P31644 2/20 0.66
GABRA3 P34903 2/20 0.66
GABRA2 P47869 2/20 0.66

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
SCHEMBL29008532 0.93 CREB1 (0.86) CREB1FLT3PRSS1PRSS2PRSS3
SCHEMBL22966699 0.90 CREB1 (0.82) CREB1FLT3PRSS1PRSS2PRSS3
SCHEMBL972837 0.89 CREB1 (0.80) CREB1FLT3PRSS1PRSS2PRSS3
Oroxylin A SCHEMBL431423 0.86 CREB1 (1.00) CREB1FLT3PRSS1PRSS2PRSS3
Oroxylin A SCHEMBL30452350 0.86 CREB1 (1.00) CREB1FLT3PRSS1PRSS2PRSS3
SCHEMBL972514 0.84 CREB1 (1.00) CREB1FLT3PRSS1PRSS2PRSS3
Baicalein SCHEMBL29200768 0.83 ABCB1 (0.89) CREB1FLT3PRSS1PRSS2PRSS3
SCHEMBL971867 0.83 CREB1 (0.71) CREB1FLT3PRSS1PRSS2PRSS3
SCHEMBL21224157 0.82 MAPT (0.74) CREB1FLT3SLCO2B1ABCB1MAPT
SCHEMBL29494596 0.82 MAPT (0.74) CREB1FLT3SLCO2B1ABCB1MAPT

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.