SCHEMBL971995

SCHEMBL971995

O=c1cc(-c2ccccc2)oc2cc(O)c(OCc3ccccc3)c(O)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREB1 P16220 6/20 1.00
ABCB1 P08183 6/20 0.74
MAPT P10636 4/20 0.74
SLCO2B1 O94956 3/20 0.72
PRSS1 P07477 2/20 0.72
PRSS2 P07478 2/20 0.72
PRSS3 P35030 2/20 0.72
FLT3 P36888 2/20 0.72
GABRP O00591 4/20 0.70
GABRD O14764 4/20 0.70
GABRA1 P14867 4/20 0.70
GABRB1 P18505 4/20 0.70
GABRG2 P18507 4/20 0.70
GABRB3 P28472 4/20 0.70
GABRA5 P31644 4/20 0.70
GABRA3 P34903 4/20 0.70
GABRA2 P47869 4/20 0.70
GABRB2 P47870 4/20 0.70
GABRA4 P48169 4/20 0.70
GABRE P78334 4/20 0.70

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
SCHEMBL972006 0.91 CREB1 (0.83) CREB1ABCB1MAPTSLCO2B1PRSS1
SCHEMBL30852784 0.87 CREB1 (0.77) CREB1ABCB1MAPTSLCO2B1PRSS1
SCHEMBL27797164 0.86 CREB1 (0.76) CREB1ABCB1MAPTSLCO2B1PRSS1
SCHEMBL972514 0.86 CREB1 (1.00) CREB1ABCB1MAPTSLCO2B1PRSS1
SCHEMBL21335353 0.85 CREB1 (0.74) CREB1ABCB1MAPTSLCO2B1PRSS1
SCHEMBL974548 0.85 MAPT (1.00) CREB1ABCB1MAPTSLCO2B1GABRP
SCHEMBL30376285 0.85 MAPT (1.00) CREB1ABCB1MAPTSLCO2B1GABRP
Flavone SCHEMBL1019491 0.85 CREB1 (0.73) CREB1ABCB1MAPTSLCO2B1PRSS1
SCHEMBL971866 0.85 CREB1 (0.73) CREB1ABCB1MAPTSLCO2B1PRSS1
SCHEMBL970349 0.84 CREB1 (1.00) CREB1ABCB1MAPTSLCO2B1PRSS1

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 1/4885MAPT 4867/4885

“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.