SCHEMBL970267

SCHEMBL970267

CCCOc1c(OC)cc2oc(-c3ccccc3)cc(=O)c2c1OC

nearest known ligand 0.91

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.91
ABCG2 Q9UNQ0 2/20 0.67
CREB1 P16220 1/20 0.67
MEN1 O00255 2/20 0.61
ALDH1A1 P00352 2/20 0.61
KMT2A Q03164 2/20 0.61
KDM4E B2RXH2 1/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59

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
SCHEMBL970514 0.95 ABCB1 (1.00) ABCB1ABCG2CREB1MEN1ALDH1A1
SCHEMBL971911 0.90 CREB1 (0.80) ABCB1ABCG2CREB1KDM4E
SCHEMBL972759 0.90 ABCB1 (0.89) ABCB1ABCG2CREB1
SCHEMBL973395 0.89 ABCB1 (0.87) ABCB1
SCHEMBL974036 0.88 ABCB1 (0.85) ABCB1
Baicalein Trimethyl Ether SCHEMBL971297 0.88 ABCB1 (0.80) ABCB1ABCG2CREB1MEN1ALDH1A1
SCHEMBL971035 0.86 ABCB1 (0.79) ABCB1ABCG2CREB1MEN1ALDH1A1
SCHEMBL8064365 0.84 ABCB1 (0.71) ABCB1ABCG2MEN1KMT2A
SCHEMBL972945 0.83 CREB1 (0.83) ABCB1ABCG2CREB1
Mosloflavone SCHEMBL971985 0.81 KDM4E (0.81) ABCB1ABCG2CREB1MEN1ALDH1A1

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 1/4885ABCG2 3/4885CREB1 2524/4885

“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.