SCHEMBL969833

SCHEMBL969833

O=c1cc(-c2ccccc2)oc2cc(OCc3ccccc3)c(Cc3ccccc3)c(O)c12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 9/20 0.71
CREB1 P16220 5/20 0.69
MAPT P10636 3/20 0.65
BCHE P06276 1/20 0.62
ACHE P22303 1/20 0.62
L3MBTL1 Q9Y468 2/20 0.59
KDM4E B2RXH2 2/20 0.57
MEN1 O00255 2/20 0.57
GABRP O00591 2/20 0.57
GABRD O14764 2/20 0.57
ALDH1A1 P00352 2/20 0.57
TP53 P04637 2/20 0.57
CYP1A1 P04798 2/20 0.57
CYP1A2 P05177 2/20 0.57
CDK1 P06493 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C9 P11712 2/20 0.57
CCNB1 P14635 2/20 0.57
GABRA1 P14867 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
SCHEMBL27797164 0.90 CREB1 (0.76) ABCB1CREB1MAPTBCHEACHE
SCHEMBL969834 0.87 ABCB1 (0.71) ABCB1CREB1MAPTL3MBTL1KDM4E
SCHEMBL972006 0.86 CREB1 (0.83) ABCB1CREB1MAPTBCHEACHE
SCHEMBL30852784 0.85 CREB1 (0.77) ABCB1CREB1MAPTBCHEACHE
SCHEMBL21335353 0.83 CREB1 (0.74) ABCB1CREB1MAPTBCHEACHE
SCHEMBL27963408 0.83 L3MBTL1 (0.77) ABCB1CREB1MAPTBCHEACHE
SCHEMBL971995 0.81 CREB1 (1.00) ABCB1CREB1MAPTBCHEACHE
Flavone SCHEMBL1019491 0.81 CREB1 (0.73) ABCB1CREB1MAPTBCHEACHE
SCHEMBL971866 0.79 CREB1 (0.73) ABCB1CREB1MAPTBCHEACHE
SCHEMBL30376285 0.79 MAPT (1.00) ABCB1CREB1MAPTBCHEACHE

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 ABCB1 1/4885CREB1 2524/4885MAPT 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.