SCHEMBL1828124

SCHEMBL1828124

CC(O)OCCOC(C)Cl

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL8068207 0.85 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL8057836 0.85 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL8068986 0.77 MEN1 (0.30)
SCHEMBL20658227 0.77 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL8069328 0.77 MEN1 (0.39) TSHR
SCHEMBL8057662 0.77 MEN1 (0.39) TSHR
SCHEMBL8066787 0.77 MEN1 (0.30)
SCHEMBL5561419 0.74
SCHEMBL4845914 0.74
SCHEMBL242589 0.74

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 ALDH1A1 3559/4885TSHR 1435/4885
US-20130303499-A1 GLUCOCORTICOIDS ATTACHED TO NITRATE ESTERS VIA AN AROMATIC LINKER IN POSITION 21 AND THEIR USE IN OPHTHALMOLOGY NR3C1, NR3C2, CYP11B1 ALDH1A1 3559/4885TSHR 1435/4885

“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.