SCHEMBL1699331

SCHEMBL1699331

O=c1oc2c(O)c(OC3OC(CO)C(O)C3O)cc3c(=O)oc4c(O)c(O)cc1c4c23

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 0.52
KDM4E B2RXH2 6/20 0.52
HPGD P15428 6/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
GAA P10253 3/20 0.52
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA13 Q8N1Q1 2/20 0.52
CYP2C19 P33261 2/20 0.52
MAPT P10636 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
EPHX2 P34913 2/20 0.52
PLK4 O00444 1/20 0.52
IKBKB O14920 1/20 0.52
AURKA O14965 1/20 0.52
NUAK1 O60285 1/20 0.52
USP2 O75604 1/20 0.52

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
SCHEMBL29585250 0.99 SOST (0.53) HSD17B10KDM4EHPGDMEN1KMT2A
SCHEMBL31290780 0.93 XDH (0.53) HSD17B10KDM4EHPGDMEN1KMT2A
SCHEMBL1279902 0.90 SOST (0.59) HSD17B10KDM4EHPGDMEN1KMT2A
SCHEMBL1279584 0.89 SOST (0.60) HSD17B10KDM4EHPGDMEN1KMT2A
SCHEMBL1444961 0.89 SOST (0.60) HSD17B10KDM4EHPGDMEN1KMT2A
SCHEMBL3870280 0.89 RELA (0.56) KDM4EHPGDMEN1KMT2ACA12
Eschweilenol C SCHEMBL15359344 0.85 KDM4E (0.54) HSD17B10KDM4EHPGDMEN1KMT2A
Eschweilenol C SCHEMBL1699342 0.85 KDM4E (0.54) HSD17B10KDM4EHPGDMEN1KMT2A
SCHEMBL31621907 0.84 KMT2A (0.50) HSD17B10KDM4EHPGDMEN1KMT2A
Ellagic Acid SCHEMBL1279897 0.84 KDM4E (0.62) HSD17B10KDM4EHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9351492-B2 Anti-biofilm compositions and methods for using BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2016-05-31 US disclosed
US-9351492-B2 Anti-biofilm compositions and methods for using BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2016-05-31 US disclosed
US-20140271777-A1 ANTI-BIOFILM COMPOSITIONS AND METHODS FOR USING BOARD OF TRUSTEES UNIVERSITY OF ARKANSAS (US) 2014-09-18 US disclosed
US-20140271777-A1 ANTI-BIOFILM COMPOSITIONS AND METHODS FOR USING BOARD OF TRUSTEES UNIVERSITY OF ARKANSAS (US) 2014-09-18 US disclosed
US-8741855-B2 Anti-biofilm compositions and methods for using THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2014-06-03 US disclosed
US-8741855-B2 Anti-biofilm compositions and methods for using THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2014-06-03 US disclosed
US-20120088671-A1 ANTI-BIOFILM COMPOSITIONS AND METHODS FOR USING BOARD OF TRUSTEES UNIVERSITY OF ARKANSAS (US) 2012-04-12 US disclosed
US-20120088671-A1 ANTI-BIOFILM COMPOSITIONS AND METHODS FOR USING BOARD OF TRUSTEES UNIVERSITY OF ARKANSAS (US) 2012-04-12 US 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 (2 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-20140271777-A1 ANTI-BIOFILM COMPOSITIONS AND METHODS FOR USING TIMP3, MMP13, MMP8 HSD17B10 2329/4885KDM4E 1528/4885HPGD 1190/4885
US-20120088671-A1 ANTI-BIOFILM COMPOSITIONS AND METHODS FOR USING TIMP3, MMP13, MMP8 HSD17B10 2329/4885KDM4E 1528/4885HPGD 1190/4885

“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.