SCHEMBL12534799

SCHEMBL12534799

O=COc1ccc2c(c1)C(=O)N(O)C2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 4/20 0.41
HTT P42858 3/20 0.41
POLB P06746 3/20 0.41
MEN1 O00255 2/20 0.41
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
BRD4 O60885 1/20 0.38
LPAR1 Q92633 1/20 0.37
LPAR3 Q9UBY5 1/20 0.37
ESR1 P03372 2/20 0.36
ERCC1 P07992 2/20 0.35
FEN1 P39748 2/20 0.35
ERCC4 Q92889 2/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
PABPC1 P11940 1/20 0.34
XBP1 P17861 1/20 0.34

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
SCHEMBL14227282 0.82 ALDH1A1 (0.51) KDM4EALDH1A1KMT2AHTTPOLB
SCHEMBL3826310 0.81 TDP1 (0.59) TDP1KDM4EALDH1A1KMT2AHTT
SCHEMBL3223013 0.78 CA1 (0.53) TDP1KDM4EALDH1A1KMT2AHTT
SCHEMBL11890265 0.74 BRD4 (0.48) ALDH1A1KMT2AHTTPOLBMEN1
SCHEMBL11947937 0.74 POLB (0.56) TDP1ALDH1A1KMT2APOLBMEN1
SCHEMBL3775779 0.72 KDM4E (0.42) TDP1KDM4EALDH1A1POLBESR1
SCHEMBL16487856 0.71 TDP1 (0.36) TDP1KDM4EALDH1A1KMT2AHTT
SCHEMBL2608111 0.70 TDP1 (0.43) TDP1ALDH1A1KMT2AMEN1MAPT
SCHEMBL5060829 0.70 NPC1 (0.47) TDP1KDM4EALDH1A1KMT2AHTT
SCHEMBL25060901 0.70 KDM4E (0.57) TDP1KDM4EALDH1A1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404795-B2 Photolytic acid-generating polymers and monomers for their construction THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2013-03-26 US disclosed
US-20110130538-A1 PHOTOLYTIC ACID-GENERATING POLYMERS AND MONOMERS FOR THEIR CONSTRUCTION THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 2011-06-02 US disclosed
CN-101626835-A Immobilized cyclic imide catalyst and process for oxidation of organic compounds with the same DAICEL CHEM 2010-01-13 CN 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-20110130538-A1 PHOTOLYTIC ACID-GENERATING POLYMERS AND MONOMERS FOR THEIR CONSTRUCTION PPOX, ALAD, PGAM1 TDP1 3553/4885KDM4E 3920/4885ALDH1A1 444/4885

“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.