SCHEMBL972837

SCHEMBL972837

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

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREB1 P16220 6/20 0.80
PRSS1 P07477 2/20 0.63
PRSS2 P07478 2/20 0.63
PRSS3 P35030 2/20 0.63
FLT3 P36888 2/20 0.63
SLCO2B1 O94956 1/20 0.63
ABCB1 P08183 7/20 0.62
ABCG2 Q9UNQ0 2/20 0.62
PTPRS Q13332 2/20 0.61
KDM4E B2RXH2 3/20 0.57
MAPT P10636 3/20 0.57
ALDH1A1 P00352 2/20 0.57
CYP3A4 P08684 2/20 0.57
HPGD P15428 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
HSD17B10 Q99714 2/20 0.57
SI P14410 2/20 0.57
MEN1 O00255 1/20 0.57
GABRP O00591 1/20 0.57
GABRD O14764 1/20 0.57

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
SCHEMBL972738 0.91 CREB1 (0.70) CREB1PRSS1PRSS2PRSS3FLT3
SCHEMBL971867 0.91 CREB1 (0.71) CREB1PRSS1PRSS2PRSS3FLT3
SCHEMBL972407 0.89 CREB1 (1.00) CREB1PRSS1PRSS2PRSS3FLT3
SCHEMBL971866 0.88 CREB1 (0.73) CREB1PRSS1PRSS2PRSS3FLT3
SCHEMBL971180 0.88 CREB1 (0.66) CREB1PRSS1PRSS2PRSS3FLT3
SCHEMBL22966699 0.87 CREB1 (0.82) CREB1PRSS1PRSS2PRSS3FLT3
SCHEMBL29008532 0.86 CREB1 (0.86) CREB1PRSS1PRSS2PRSS3FLT3
SCHEMBL970574 0.86 CREB1 (0.64) CREB1PRSS1PRSS2PRSS3FLT3
SCHEMBL974333 0.83 ABCB1 (0.68) CREB1PRSS1PRSS2PRSS3FLT3
SCHEMBL970573 0.83 CREB1 (0.63) CREB1ABCB1ABCG2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105669625-B A kind of 2- substitution chromene -4- ketone compounds and its application 中国人民解放军第二军医大学 2018-05-25 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 2524/4885PRSS1 1654/4885PRSS2 3444/4885

“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.