Baicalein

Baicalein

SCHEMBL5080946

CCOCC.O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12

nearest known ligand 0.80

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 7/20 0.80
CREB1 P16220 6/20 0.80
PTPRS Q13332 3/20 0.80
PRSS1 P07477 2/20 0.80
PRSS2 P07478 2/20 0.80
PRSS3 P35030 2/20 0.80
GABRP O00591 2/20 0.80
GABRD O14764 2/20 0.80
CYP1A1 P04798 2/20 0.80
FBP1 P09467 2/20 0.80
GABRA1 P14867 2/20 0.80
GABRB1 P18505 2/20 0.80
GABRG2 P18507 2/20 0.80
UGT1A1 P22309 2/20 0.80
GABRB3 P28472 2/20 0.80
GABRA5 P31644 2/20 0.80
GABRA3 P34903 2/20 0.80
GRK6 P43250 2/20 0.80
GABRA2 P47869 2/20 0.80
GABRB2 P47870 2/20 0.80

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
Baicalein SCHEMBL28504707 0.91 CREB1 (0.86) ABCB1CREB1PTPRSPRSS1PRSS2
Baicalein SCHEMBL28365951 0.90 ABCB1 (0.94) ABCB1CREB1PTPRSPRSS1PRSS2
Baicalein SCHEMBL29385549 0.89 ABCB1 (1.00) ABCB1CREB1PTPRSPRSS1PRSS2
Baicalein SCHEMBL139617 0.89 ABCB1 (1.00) ABCB1CREB1PTPRSPRSS1PRSS2
Baicalein SCHEMBL5695785 0.89 ABCB1 (1.00) ABCB1CREB1PTPRSPRSS1PRSS2
Baicalein SCHEMBL29200817 0.89 CREB1 (0.82) ABCB1CREB1PTPRSPRSS1PRSS2
Baicalein SCHEMBL28372093 0.88 ABCB1 (0.97) ABCB1CREB1PTPRSPRSS1PRSS2
Baicalein SCHEMBL28826034 0.88 ABCB1 (0.97) ABCB1CREB1PTPRSPRSS1PRSS2
Baicalein SCHEMBL28630648 0.88 ABCB1 (0.97) ABCB1CREB1PTPRSPRSS1PRSS2
Baicalein SCHEMBL28198926 0.88 ABCB1 (0.97) ABCB1CREB1PTPRSPRSS1PRSS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176932-A1 Pharmaceutical Compositions Containing Baicalein And Baicalin With Synergistic Effect In Tumor Treatment SHANGHAI GLORIAYX BIOPHARMACEUTICALS CO., LTD. (CN) 2008-07-24 US disclosed
EP-1849467-A1 THE SYNERGISTICALLY PHARMACEUTICAL COMPOSITION OF BAICALEIN AND BAICALIN FOR INHIBITING TUMOR Shanghai Gloriayx Biopharmaceuticals Co., Ltd (CN) 2007-10-31 EP 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-20080176932-A1 Pharmaceutical Compositions Containing Baicalein And Baicalin With Synergistic Effect In Tumor Treatment UGT1A1, UGT2B7, CYP11B1 ABCB1 46/4885CREB1 3442/4885PTPRS 4458/4885

“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.