SCHEMBL1975152

SCHEMBL1975152

COc1cc(C(=O)O)ccc1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.65
CA1 P00915 2/20 0.65
CA2 P00918 2/20 0.65
CA4 P22748 2/20 0.65
CA6 P23280 2/20 0.65
CA7 P43166 2/20 0.65
CA9 Q16790 2/20 0.65
CA14 Q9ULX7 2/20 0.65
TPMT P51580 1/20 0.65
TSHR P16473 4/20 0.56
TTR P02766 2/20 0.54
HTT P42858 3/20 0.53
LMNA P02545 2/20 0.51
RAB9A P51151 2/20 0.51
MAPK1 P28482 1/20 0.51
PKM P14618 2/20 0.50
DRD2 P14416 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL2914020 0.94 CA12 (0.65) CA12CA1CA2CA4CA6
SCHEMBL8940576 0.92 CA12 (0.51) CA12CA1CA2CA4CA6
SCHEMBL336061 0.88 DRD2 (0.49) CA12CA1CA2CA4CA6
SCHEMBL4194168 0.87 DRD2 (0.48) CA12CA1CA2CA4CA6
SCHEMBL3837509 0.87 MAPK1 (0.56) CA12CA1CA2CA4CA6
SCHEMBL1525956 0.87 MAPT (0.59) CA12CA1CA2CA4CA6
SCHEMBL20105088 0.85 DRD2 (0.47) CA12CA1CA2CA4CA6
SCHEMBL2848013 0.84 MEN1 (0.57) CA12CA1CA2CA4CA6
SCHEMBL29286539 0.83 TTR (0.50) CA12CA1CA2CA4CA6
SCHEMBL3964477 0.83 HTT (0.58) CA12CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180116993-A1 MODULATORS OF FARNESOID X RECEPTOR AND METHODS FOR THE USE THEREOF XIAMEN UNIVERSITY (CN) 2018-05-03 US disclosed
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-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-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
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-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
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
EP-0351194-B1 Thiazole derivatives having a 5-lipoxygenase-inhibiting activity ICI PLC (GB) 1994-06-15 EP disclosed
EP-0381375-B1 HETEROCYCLIC DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-11-11 EP 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 (3 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 CA12 4209/4885CA1 4661/4885CA2 2555/4885
US-20180116993-A1 MODULATORS OF FARNESOID X RECEPTOR AND METHODS FOR THE USE THEREOF NR1H4, FABP1, NR1H2 CA12 4484/4885CA1 4479/4885CA2 3984/4885
US-20130303499-A1 GLUCOCORTICOIDS ATTACHED TO NITRATE ESTERS VIA AN AROMATIC LINKER IN POSITION 21 AND THEIR USE IN OPHTHALMOLOGY NR3C1, NR3C2, CYP11B1 CA12 4209/4885CA1 4661/4885CA2 2555/4885

“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.