SCHEMBL1279100

SCHEMBL1279100

COc1cc(C=CC(=O)C(O)[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.59
CA12 O43570 2/20 0.59
CA4 P22748 2/20 0.59
CA7 P43166 2/20 0.59
TYR P14679 1/20 0.59
EPHX2 P34913 1/20 0.59
NQO2 P16083 1/20 0.58
CBS P35520 1/20 0.56
RPS6KA3 P51812 3/20 0.56
AKR1B1 P15121 2/20 0.56
P4HB P07237 3/20 0.55
SYNJ2 O15056 1/20 0.55
ACHE P22303 1/20 0.54
CA2 P00918 1/20 0.54
MMP9 P14780 1/20 0.54
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
ALPI P09923 1/20 0.53

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
SCHEMBL18670353 0.92 CYP3A4 (0.69) CYP3A4CA12CA4CA7TYR
SCHEMBL1278982 0.92 CYP3A4 (0.69) CYP3A4CA12CA4CA7TYR
SCHEMBL9992609 0.92 CYP3A4 (0.69) CYP3A4CA12CA4CA7TYR
SCHEMBL1287866 0.92 CYP3A4 (0.69) CYP3A4CA12CA4CA7TYR
SCHEMBL181120 0.89 KDM4E (0.65) CYP3A4CA12CA4CA7TYR
SCHEMBL2510457 0.82 NQO2 (0.72) CYP3A4CA12CA4CA7EPHX2
SCHEMBL17938761 0.78 CYP3A4 (0.61) CYP3A4CA12CA4CA7TYR
SCHEMBL2002343 0.78 CA12 (0.65) CYP3A4CA12CA4CA7TYR
SCHEMBL2007120 0.78 NQO2 (0.65) CYP3A4CA12CA4CA7EPHX2
SCHEMBL7601750 0.78 KDM4E (0.73) CYP3A4CA12CA4CA7EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741855-B2 Anti-biofilm compositions and methods for using THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2014-06-03 US claimed
US-20120088671-A1 ANTI-BIOFILM COMPOSITIONS AND METHODS FOR USING BOARD OF TRUSTEES UNIVERSITY OF ARKANSAS (US) 2012-04-12 US claimed
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-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

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 CYP3A4 3665/4885CA12 2383/4885CA4 1273/4885
US-20120088671-A1 ANTI-BIOFILM COMPOSITIONS AND METHODS FOR USING TIMP3, MMP13, MMP8 CYP3A4 3665/4885CA12 2383/4885CA4 1273/4885

“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.