SCHEMBL1669129

SCHEMBL1669129

CC(O)NC(=O)c1cc(O)c(O)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
LMNA P02545 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
POLB P06746 2/20 0.53
GAA P10253 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
NSD2 O96028 1/20 0.53
ALPL P05186 1/20 0.53
ALPI P09923 1/20 0.53
ALPG P10696 1/20 0.53
APEX1 P27695 1/20 0.53
HTT P42858 1/20 0.53
RECQL P46063 1/20 0.53
BLM P54132 1/20 0.53
CASP6 P55212 1/20 0.53
TOP1 P11387 4/20 0.50
TOP2A P11388 3/20 0.50
TOP2B Q02880 3/20 0.50

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
SCHEMBL20207014 0.86 KDM4E (0.55) KDM4ELMNATDP1POLBGAA
SCHEMBL10583432 0.82 CA12 (0.47) KDM4ELMNATDP1POLBALDH1A1
SCHEMBL10033789 0.81 CA2 (0.53) KDM4ELMNATDP1POLBGAA
SCHEMBL16145034 0.80 CA2 (0.56) KDM4ELMNATDP1POLBGAA
SCHEMBL16145035 0.80 CA2 (0.56) KDM4ELMNATDP1POLBGAA
SCHEMBL15058522 0.79 KDM4E (0.53) KDM4ELMNATDP1POLBGAA
SCHEMBL31233493 0.79 KDM4E (0.48) KDM4ELMNATDP1POLBGAA
SCHEMBL16144981 0.78 CA2 (0.55) KDM4ELMNATDP1POLBGAA
SCHEMBL16144983 0.78 CA2 (0.55) KDM4ELMNATDP1POLBGAA
SCHEMBL15631128 0.76 ERN1 (0.49) KDM4ELMNATDP1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2485678-A1 COFERONS AND METHODS OF MAKING AND USING THEM Cornell University (US) 2012-08-15 EP claimed
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 WO claimed
US-9771345-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2017-09-26 US disclosed
EP-2794835-B1 WASHING AND CLEANING COMPOSITIONS WITH IMPROVED PERFORMANCE HENKEL AG & CO KGAA (DE) 2017-02-08 EP disclosed
US-20140303064-A1 WASHING AND CLEANING COMPOSITIONS WITH IMPROVED PERFORMANCE HENKEL AG & CO. KGAA (DE) 2014-10-09 US disclosed
US-20140161729-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2014-06-12 US disclosed
US-20120295874-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2012-11-22 US disclosed
WO-2012154213-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2012-11-15 WO disclosed
EP-2485678-A1 COFERONS AND METHODS OF MAKING AND USING THEM Cornell University (US) 2012-08-15 EP disclosed
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 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 (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-20120295874-A1 COFERONS AND METHODS OF MAKING AND USING THEM MYOF, FTH1, HCCS KDM4E 4500/4885LMNA 2853/4885TDP1 4444/4885
US-20140161729-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM TNFSF11, CD14, TNFRSF1A KDM4E 4722/4885LMNA 537/4885TDP1 1296/4885

“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.