SCHEMBL1829162

SCHEMBL1829162

COc1cc(C(=O)OCCOCCOCCO[N+](=O)[O-])ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
POLB P06746 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
HSD17B2 P37059 1/20 0.58
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
RAB9A P51151 1/20 0.48
HTT P42858 1/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA9 Q16790 1/20 0.45
CYP1A2 P05177 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
BLM P54132 1/20 0.44

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
SCHEMBL13242583 1.00 KDM4E (0.62) KDM4EPOLBHDAC6HSD17B2KMT2A
SCHEMBL13242561 0.96 KDM4E (0.67) KDM4EPOLBHDAC6HSD17B2KMT2A
SCHEMBL1830326 0.89 HDAC6 (0.76) KDM4EPOLBHDAC6HSD17B2KMT2A
SCHEMBL13242559 0.89 HDAC6 (0.71) KDM4EPOLBHDAC6HSD17B2KMT2A
SCHEMBL25421686 0.88 KDM4E (0.78) KDM4EPOLBHDAC6HSD17B2KMT2A
SCHEMBL25668836 0.88 KDM4E (0.78) KDM4EPOLBHDAC6HSD17B2KMT2A
SCHEMBL30947792 0.88 KDM4E (0.78) KDM4EPOLBHDAC6HSD17B2KMT2A
SCHEMBL13242556 0.88 HDAC6 (0.78) KDM4EPOLBHDAC6HSD17B2KMT2A
SCHEMBL13242563 0.88 HDAC6 (0.78) KDM4EPOLBHDAC6HSD17B2KMT2A
SCHEMBL12554724 0.85 CA12 (0.47) KDM4EPOLBHDAC6HSD17B2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012435-B2 Glucocorticoids attached to nitrate esters via an aromatic linker in position 21 and their use in ophthalmology NICOX S.A. (FR) 2015-04-21 US disclosed
US-20130303499-A1 GLUCOCORTICOIDS ATTACHED TO NITRATE ESTERS VIA AN AROMATIC LINKER IN POSITION 21 AND THEIR USE IN OPHTHALMOLOGY NICOX S.A. (FR) 2013-11-14 US disclosed
EP-2318427-B1 GLUCOCORTICOIDS ATTACHED TO NITRATE ESTERS VIA AN AROMATIC LINKER IN POSITION 21 AND THEIR USE IN OPHTHALMOLOGY NICOX SA (FR) 2013-10-23 EP disclosed
US-8518920-B2 Glucocorticoids attached to nitrate esters via an aromatic linker in position 21 and their use in ophthalmology NICOX S.A. (FR) 2013-08-27 US disclosed
US-20110144073-A1 GLUCOCORTICOIDS ATTACHED TO NITRATE ESTERS VIA AN AROMATIC LINKER IN POSITION 21 AND THEIR USE IN OPHTHALMOLOGY NICOX S.A. 2011-06-16 US disclosed
EP-2318427-A1 GLUCOCORTICOIDS ATTACHED TO NITRATE ESTERS VIA AN AROMATIC LINKER IN POSITION 21 AND THEIR USE IN OPHTHALMOLOGY Nicox S.A. (FR) 2011-05-11 EP disclosed
WO-2010012567-A1 GLUCOCORTICOIDS ATTACHED TO NITRATE ESTERS VIA AN AROMATIC LINKER IN POSITION 21 AND THEIR USE IN OPHTHALMOLOGY NICOX S.A. (FR) 2010-02-04 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-20110144073-A1 GLUCOCORTICOIDS ATTACHED TO NITRATE ESTERS VIA AN AROMATIC LINKER IN POSITION 21 AND THEIR USE IN OPHTHALMOLOGY NR3C1, NR3C2, CYP11B1 KDM4E 2965/4885POLB 1017/4885HDAC6 3513/4885
US-20130303499-A1 GLUCOCORTICOIDS ATTACHED TO NITRATE ESTERS VIA AN AROMATIC LINKER IN POSITION 21 AND THEIR USE IN OPHTHALMOLOGY NR3C1, NR3C2, CYP11B1 KDM4E 2965/4885POLB 1017/4885HDAC6 3513/4885

“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.