SCHEMBL971282

SCHEMBL971282

O=c1cc(-c2ccccc2)oc2cc3c(c(O)c12)OCO3

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 9/20 0.61
CREB1 P16220 6/20 0.61
CYP1A1 P04798 4/20 0.61
CYP1A2 P05177 4/20 0.61
CYP1B1 Q16678 4/20 0.61
CYP3A4 P08684 4/20 0.61
MAPT P10636 4/20 0.61
MEN1 O00255 3/20 0.61
ALDH1A1 P00352 3/20 0.61
KMT2A Q03164 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
FTO Q9C0B1 3/20 0.61
CYP2C9 P11712 3/20 0.61
CYP2C19 P33261 3/20 0.61
KDM4E B2RXH2 2/20 0.61
GABRP O00591 2/20 0.61
GABRD O14764 2/20 0.61
TP53 P04637 2/20 0.61
CDK1 P06493 2/20 0.61
CYP2D6 P10635 2/20 0.61

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
SCHEMBL739211 0.90 KMT2A (0.61) ABCB1CREB1CYP1A1CYP1A2CYP1B1
SCHEMBL737402 0.84 MAPT (0.63) ABCB1CYP1A1CYP1A2CYP1B1CYP3A4
SCHEMBL974544 0.81 ABCB1 (0.61) ABCB1CREB1CYP1A1CYP1A2CYP1B1
Pisonin E SCHEMBL30879929 0.77 PTGS1 (0.56) CYP1A2CYP3A4MAPTALDH1A1SMN1; SMN2
Baicalein SCHEMBL139617 0.76 ABCB1 (1.00) ABCB1CREB1CYP1A1CYP1A2CYP1B1
Baicalein SCHEMBL29385549 0.76 ABCB1 (1.00) ABCB1CREB1CYP1A1CYP1A2CYP1B1
Baicalein SCHEMBL5695785 0.76 ABCB1 (1.00) ABCB1CREB1CYP1A1CYP1A2CYP1B1
SCHEMBL737399 0.76 ACHE (0.53) ABCB1SIMAOAMAOB
Baicalein SCHEMBL28372093 0.75 ABCB1 (0.97) ABCB1CREB1CYP1A1CYP1A2CYP1B1
Baicalein SCHEMBL28630648 0.75 ABCB1 (0.97) ABCB1CREB1CYP1A1CYP1A2CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2278882-A2 COMPOSITIONS AND METHODS TO CONTROL OOMYCETE FUNGAL PATHOGENS Dow AgroSciences LLC (US) 2011-02-02 EP claimed
WO-2009146079-A2 COMPOSITIONS AND METHODS TO CONTROL OOMYCETE FUNGAL PATHOGENS DOW AGROSCIENCES LLC (US) 2009-12-03 WO claimed
US-20090246293-A1 COMPOSITIONS AND METHODS TO CONTROL OOMYCETE FUNGAL PATHOGENS DOW AGROSCIENCES LLC (US) 2009-10-01 US claimed
EP-2488021-A1 COMPOSITIONS AND METHODS TO CONTROL OOMYCETE FUNGAL PATHOGENS Dow AgroSciences LLC (US) 2012-08-22 EP disclosed
WO-2011047025-A1 COMPOSITIONS AND METHODS TO CONTROL OOMYCETE FUNGAL PATHOGENS DOW AGROSCIENCES LLC (US) 2011-04-21 WO disclosed
US-20110086761-A1 COMPOSITIONS AND METHODS TO CONTROL OOMYCETE FUNGAL PATHOGENS DOW AGROSCIENCES LLC (US) 2011-04-14 US disclosed
EP-2278882-A2 COMPOSITIONS AND METHODS TO CONTROL OOMYCETE FUNGAL PATHOGENS Dow AgroSciences LLC (US) 2011-02-02 EP disclosed
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
WO-2009146079-A2 COMPOSITIONS AND METHODS TO CONTROL OOMYCETE FUNGAL PATHOGENS DOW AGROSCIENCES LLC (US) 2009-12-03 WO disclosed
US-20090246293-A1 COMPOSITIONS AND METHODS TO CONTROL OOMYCETE FUNGAL PATHOGENS DOW AGROSCIENCES LLC (US) 2009-10-01 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 (3 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 2524/4885CYP1A1 53/4885
US-20090246293-A1 COMPOSITIONS AND METHODS TO CONTROL OOMYCETE FUNGAL PATHOGENS ERG28, DPM1, CYP51A1 ABCB1 2724/4885CREB1 4422/4885CYP1A1 195/4885
US-20110086761-A1 COMPOSITIONS AND METHODS TO CONTROL OOMYCETE FUNGAL PATHOGENS ERG28, DPM1, BROX ABCB1 2309/4885CREB1 4561/4885CYP1A1 155/4885

“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.