SCHEMBL972738

SCHEMBL972738

CC(=O)Oc1cc2oc(-c3ccccc3)cc(=O)c2c(OC(C)=O)c1OC(C)=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREB1 P16220 3/20 0.70
ABCG2 Q9UNQ0 4/20 0.58
ABCB1 P08183 4/20 0.58
KDM4E B2RXH2 4/20 0.57
CYP3A4 P08684 4/20 0.57
MAPT P10636 4/20 0.57
HSD17B10 Q99714 3/20 0.57
ALDH1A1 P00352 3/20 0.57
HPGD P15428 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ADORA3 P0DMS8 1/20 0.56
PTGS2 P35354 1/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALOX12 P18054 1/20 0.55
MAPK1 P28482 1/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 1/20 0.54

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
SCHEMBL971180 0.94 CREB1 (0.66) CREB1ABCG2ABCB1KDM4ECYP3A4
SCHEMBL970574 0.92 CREB1 (0.64) CREB1ABCG2ABCB1KDM4ECYP3A4
SCHEMBL972837 0.91 CREB1 (0.80) CREB1ABCG2ABCB1KDM4ECYP3A4
SCHEMBL970007 0.90 CREB1 (0.65) CREB1ABCG2ABCB1KDM4ECYP3A4
SCHEMBL29008532 0.90 CREB1 (0.86) CREB1ABCG2ABCB1KDM4ECYP3A4
SCHEMBL974333 0.89 ABCB1 (0.68) CREB1ABCG2ABCB1KDM4ECYP3A4
SCHEMBL970573 0.89 CREB1 (0.63) CREB1ABCG2ABCB1KDM4ECYP3A4
SCHEMBL16499864 0.89 KDM4E (0.69) CREB1KDM4ECYP3A4MAPTHSD17B10
SCHEMBL970006 0.87 CREB1 (0.61) CREB1ABCG2ABCB1KDM4ECYP3A4
SCHEMBL22966699 0.85 CREB1 (0.82) CREB1ABCG2ABCB1KDM4ECYP3A4

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
CN-111303106-B Preparation method of 5, 6-diacetoxy-7-hydroxy flavone 武汉轻工大学 2023-06-02 CN claimed
CN-111303106-A Preparation method of 5, 6-diacetoxy-7-hydroxyflavone 武汉轻工大学 2020-06-19 CN claimed
CN-111100103-A Method for synthesizing oroxylin 北京恩成康泰生物科技有限公司 2020-05-05 CN claimed
CN-111303106-B Preparation method of 5, 6-diacetoxy-7-hydroxy flavone 武汉轻工大学 2023-06-02 CN disclosed
CN-111303106-B Preparation method of 5, 6-diacetoxy-7-hydroxy flavone 武汉轻工大学 2023-06-02 CN disclosed
WO-2022255765-A1 NOVEL FLUORINE-SUBSTITUTED FLAVONOID DERIVATIVE, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING ALLERGIC DISEASES, COMPRISING SAME 주식회사 에즈큐리스 2022-12-08 WO disclosed
CN-111303106-A Preparation method of 5, 6-diacetoxy-7-hydroxyflavone 武汉轻工大学 2020-06-19 CN disclosed
CN-111303106-A Preparation method of 5, 6-diacetoxy-7-hydroxyflavone 武汉轻工大学 2020-06-19 CN disclosed
CN-111100103-A Method for synthesizing oroxylin 北京恩成康泰生物科技有限公司 2020-05-05 CN 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
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 CREB1 2524/4885ABCG2 3/4885ABCB1 1/4885

“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.