SCHEMBL728186

SCHEMBL728186

COc1cc(/C=C/C(=O)C(=Cc2ccc(F)c(F)c2)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 5/20 0.83
ABL1 P00519 1/20 0.83
IKBKB O14920 3/20 0.77
CHUK O15111 3/20 0.77
IKBKG Q9Y6K9 3/20 0.77
SNCA P37840 4/20 0.76
BACE1 P56817 2/20 0.62
AKT1 P31749 1/20 0.61
NFKB1 P19838 3/20 0.59
CYP2D6 P10635 3/20 0.59
CYP1A2 P05177 2/20 0.59
ALOX5 P09917 2/20 0.59
HSD11B1 P28845 2/20 0.59
STAT3 P40763 2/20 0.59
NFKB2 Q00653 2/20 0.59
RELA Q04206 2/20 0.59
NFE2L2 Q16236 2/20 0.59
APP P05067 2/20 0.58
KDM4E B2RXH2 2/20 0.58
CA12 O43570 2/20 0.58

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
SCHEMBL23817770 0.87 GLO1 (1.00) GLO1ABL1IKBKBCHUKIKBKG
SCHEMBL29449976 0.87 GLO1 (1.00) GLO1ABL1IKBKBCHUKIKBKG
SCHEMBL7585369 0.85 GLO1 (0.87) GLO1ABL1IKBKBCHUKIKBKG
SCHEMBL30497483 0.85 GLO1 (0.87) GLO1ABL1IKBKBCHUKIKBKG
SCHEMBL3200679 0.84 BACE1 (0.88) GLO1SNCABACE1NFKB1CYP2D6
SCHEMBL3200665 0.84 BACE1 (0.88) GLO1SNCABACE1NFKB1CYP2D6
SCHEMBL16153678 0.81 GLO1 (0.55) GLO1ABL1IKBKBCHUKIKBKG
SCHEMBL16153677 0.81 GLO1 (0.54) GLO1ABL1IKBKBCHUKIKBKG
SCHEMBL11933618 0.80 GLO1 (0.86) GLO1ABL1IKBKBCHUKIKBKG
SCHEMBL4463365 0.79 SNCA (0.79) GLO1ABL1IKBKBCHUKIKBKG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10844012-B2 Antibacterial compounds and methods of use thereof WAYNE STATE UNIVERSITY (US) 2020-11-24 US disclosed
US-20200283384-A1 ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF WAYNE STATE UNIVERSITY (US) 2020-09-10 US disclosed
US-10703716-B2 Antibacterial compounds and methods of use thereof WAYNE STATE UNIVERSITY (US) 2020-07-07 US disclosed
US-20190031610-A1 ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF WAYNE STATE UNIVERSITY (US) 2019-01-31 US disclosed
WO-2017161374-A1 ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF WAYNE STATE UNIVERSITY (US) 2017-09-21 WO disclosed
US-20140303109-A1 Novel Analogs of Curcumin and Methods of Use SARKAR FAZLUL H (US) 2014-10-09 US disclosed
US-20140303109-A1 Novel Analogs of Curcumin and Methods of Use SARKAR FAZLUL H (US) 2014-10-09 US disclosed
WO-2011142795-A9 NOVEL ANALOGS OF CURCUMIN AND METHODS OF USE WAYNE STATE UNIVERSITY (US) 2011-12-22 WO disclosed
WO-2011142795-A1 NOVEL ANALOGS OF CURCUMIN AND METHODS OF USE WAYNE STATE UNIVERSITY (US) 2011-11-17 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 (5 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-20140303109-A1 Novel Analogs of Curcumin and Methods of Use KLHL6, KEAP1, SOD1 GLO1 1364/4885ABL1 3353/4885IKBKB 15/4885
US-10703716-B2 Antibacterial compounds and methods of use thereof CLPP, MMP8, MPO GLO1 1029/4885ABL1 358/4885IKBKB 1812/4885
US-10844012-B2 Antibacterial compounds and methods of use thereof CLPP, MMP8, MPO GLO1 1029/4885ABL1 358/4885IKBKB 1812/4885
US-20190031610-A1 ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF CLPP, MMP8, MPO GLO1 1029/4885ABL1 358/4885IKBKB 1812/4885
US-20200283384-A1 ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF CLPP, MMP8, MPO GLO1 1029/4885ABL1 358/4885IKBKB 1812/4885

“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.