SCHEMBL12554491

SCHEMBL12554491

Cc1cc(C(=O)OCCCCO[N+](=O)[O-])ccc1OC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1CC1C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 11/20 0.63
▸ PGR P06401 5/20 0.63
▸ HIF1A Q16665 3/20 0.63
▸ LMNA P02545 3/20 0.63
▸ AR P10275 2/20 0.63
▸ ALDH1A1 P00352 1/20 0.63
▸ MEN1 O00255 1/20 0.63
▸ KMT2A Q03164 1/20 0.63
▸ CYP3A4 P08684 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ ESR1 P03372 3/20 0.47
▸ IKBKB O14920 1/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ ROCK2 O75116 1/20 0.47
▸ PRKCA P17252 1/20 0.47
▸ PRKACA P17612 1/20 0.47

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
SCHEMBL12554494 0.99 NR3C1 (0.62) NR3C1PGRHIF1ALMNAAR
SCHEMBL12554507 0.95 NR3C1 (0.62) NR3C1PGRHIF1ALMNAAR
SCHEMBL12554529 0.93 NR3C1 (0.60) NR3C1PGRHIF1ALMNAAR
SCHEMBL12554495 0.93 NR3C1 (0.59) NR3C1PGRHIF1ALMNAAR
SCHEMBL12554532 0.91 NR3C1 (0.62) NR3C1PGRHIF1ALMNAAR
SCHEMBL12554539 0.91 LMNA (0.57) NR3C1PGRHIF1ALMNAAR
SCHEMBL1977312 0.91 NR3C1 (0.64) NR3C1PGRHIF1ALMNAAR
SCHEMBL1974944 0.91 NR3C1 (0.64) NR3C1PGRHIF1ALMNAAR
SCHEMBL12554516 0.90 NR3C1 (0.63) NR3C1PGRHIF1ALMNAAR
SCHEMBL1977316 0.89 NR3C1 (0.62) NR3C1PGRHIF1ALMNAAR

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 4 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
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

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 NR3C1 1/4885PGR 174/4885HIF1A 2532/4885
US-20130303499-A1 GLUCOCORTICOIDS ATTACHED TO NITRATE ESTERS VIA AN AROMATIC LINKER IN POSITION 21 AND THEIR USE IN OPHTHALMOLOGY NR3C1, NR3C2, CYP11B1 NR3C1 1/4885PGR 174/4885HIF1A 2532/4885

“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.

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