SCHEMBL974549

SCHEMBL974549

O=c1cc(-c2ccccc2)oc2cc(Oc3ccccc3)cc(O)c12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.76
ABCB1 P08183 5/20 0.76
CYP3A4 P08684 4/20 0.76
CYP2C9 P11712 3/20 0.76
CYP2C19 P33261 3/20 0.76
ABCG2 Q9UNQ0 2/20 0.76
NPC1 O15118 1/20 0.76
TSHR P16473 1/20 0.76
CYP1A1 P04798 4/20 0.74
CYP1A2 P05177 4/20 0.74
MEN1 O00255 3/20 0.74
ALDH1A1 P00352 3/20 0.74
KMT2A Q03164 3/20 0.74
SMN1; SMN2 Q16637 3/20 0.74
CYP1B1 Q16678 3/20 0.74
FTO Q9C0B1 3/20 0.74
KDM4E B2RXH2 2/20 0.74
GABRP O00591 2/20 0.74
GABRD O14764 2/20 0.74
TP53 P04637 2/20 0.74

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
SCHEMBL31238301 0.91 XDH (0.78) MAPTABCB1CYP3A4CYP2C9CYP2C19
Techtochrysin SCHEMBL29494561 0.86 MAPT (1.00) MAPTABCB1CYP3A4CYP2C9CYP2C19
Techtochrysin SCHEMBL249043 0.86 MAPT (1.00) MAPTABCB1CYP3A4CYP2C9CYP2C19
Chrysin SCHEMBL3453735 0.85 MAPT (1.00) MAPTABCB1CYP3A4CYP2C9CYP2C19
Chrysin SCHEMBL29383577 0.85 MAPT (1.00) MAPTABCB1CYP3A4CYP2C9CYP2C19
Chrysin SCHEMBL44474 0.85 MAPT (1.00) MAPTABCB1CYP3A4CYP2C9CYP2C19
SCHEMBL7063538 0.85 MAPT (0.74) MAPTABCB1CYP3A4CYP2C9CYP2C19
SCHEMBL30192733 0.84 CYP1B1 (0.80) MAPTABCB1CYP3A4CYP2C9CYP2C19
Chrysin SCHEMBL10809371 0.84 MAPT (0.97) MAPTABCB1CYP3A4CYP2C9CYP2C19
Chrysin SCHEMBL28879361 0.84 MAPT (0.97) MAPTABCB1CYP3A4CYP2C9CYP2C19

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 MAPT 4867/4885ABCB1 1/4885CYP3A4 8/4885

“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.