SCHEMBL1894989

SCHEMBL1894989

C=C(C)C(=O)OC(C)N(C(C)OC)C(C)OC

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
TSHR P16473 2/20 0.39

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
SCHEMBL11465609 0.92 TSHR (0.45) ALDH1A1TSHR
SCHEMBL270000 0.83 TSHR (0.42) ALDH1A1TSHR
SCHEMBL3957277 0.82 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL5702327 0.80 TSHR (0.39) ALDH1A1TSHR
SCHEMBL14983 0.77 TSHR (0.43) ALDH1A1TSHR
SCHEMBL8401742 0.77 TSHR (0.43) ALDH1A1TSHR
SCHEMBL16295949 0.76 TSHR (0.40) ALDH1A1TSHR
Iodide SCHEMBL1302038 0.75 TSHR (0.42) ALDH1A1TSHR
Fluoride SCHEMBL1303213 0.75 TSHR (0.42) ALDH1A1TSHR
Methyl Alcohol SCHEMBL21326729 0.75 TSHR (0.42) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2397505-A1 High water content silicone hydrogels Bausch & Lomb Incorporated (US) 2011-12-21 EP disclosed
EP-2222736-B1 HIGH WATER CONTENT SILICONE HYDROGELS BAUSCH & LOMB (US) 2011-09-21 EP disclosed
US-7934830-B2 High water content silicone hydrogels BAUSCH & LOMB INCORPORATED (US) 2011-05-03 US disclosed
EP-2222736-A1 HIGH WATER CONTENT SILICONE HYDROGELS Bausch & Lomb Incorporated (US) 2010-09-01 EP disclosed
EP-2121450-A1 PACKAGING SYSTEM FOR CONTACT LENSES Bausch & Lomb Incorporated (US) 2009-11-25 EP disclosed
WO-2009073321-A1 HIGH WATER CONTENT SILICONE HYDROGELS BAUSCH & LOMB INCORPORATED (US) 2009-06-11 WO disclosed
US-20090141234-A1 High Water Content Silicone Hydrogels BAUSCH HEALTH AMERICAS, INC. 2009-06-04 US disclosed
EP-1236068-B1 CONTACT LENS NOVARTIS AG (CH) 2008-08-27 EP disclosed
WO-2008079716-A1 PACKAGING SYSTEM FOR CONTACT LENSES BAUSCH & LOMB INCORPORATED (US) 2008-07-03 WO disclosed
US-20080152540-A1 PACKAGING SOLUTIONS BAUSCH & LOMB INCORPORATED (US) 2008-06-26 US disclosed
US-7201481-B2 Interpolymerization product of a (a) hydrophilic monomer with (b) a tris(siloxy)silyl group- containing monomer, (c) a wide variety of hydrophobic monomers (both aliphatic and aromatic) and usually a (d) polyfluorinated monomer NOVARTIS AG (CH) 2007-04-10 US disclosed
EP-1236068-A4 CONTACT LENS NOVARTIS AG (CH) 2007-03-28 EP disclosed
US-20060012751-A1 Contact lens ALCON INC. (CH) 2006-01-19 US disclosed
US-6649722-B2 Interpolymerization product of a (a) hydrophilic monomer with (b) a tris(siloxy)silyl group- containing monomer, (c) a wide variety of hydrophobic monomers (both aliphatic and aromatic) and usually a (d) polyfluorinated monomer NOVARTIS AG (CH) 2003-11-18 US disclosed
EP-1236068-A1 CONTACT LENS Novartis AG (CH) 2002-09-04 EP disclosed
US-20020107337-A1 Contact lens ALCON INC. (CH) 2002-08-08 US disclosed
WO-2001042846-A1 CONTACT LENS WESLEY JESSEN CORPORATION (US) 2001-06-14 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 (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-20080152540-A1 PACKAGING SOLUTIONS AQP1, ARGLU1, CRYZ ALDH1A1 4081/4885TSHR 3664/4885

“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.