SCHEMBL1250802

SCHEMBL1250802

C=C(C)C(=O)OCCN(C(C)O)C(C)O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
THRB P10828 1/20 0.47
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL149959 0.87 TSHR (0.52) TSHRTHRBALDH1A1POLBAPEX1
Methacrylic Acid SCHEMBL8175854 0.82 TSHR (0.47) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL8982469 0.81 TSHR (0.46) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL5140617 0.81 TSHR (0.50) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL15006942 0.80 THRB (0.63) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL9312193 0.80 TSHR (0.44) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL12286354 0.79 TSHR (0.52) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL22465839 0.79 TSHR (0.47) TSHRTHRBALDH1A1POLBAPEX1
Methacrylic Acid SCHEMBL28661459 0.78 TSHR (0.43) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL746457 0.78 THRB (0.55) TSHRTHRBALDH1A1POLBAPEX1

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 21 patents — showing the first 20. 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
US-7884141-B2 hydrogel contact lenses formed from esterified aminoalcohol monomers; improved surface wettability, water absorption to silicone hydrogel, and decreased accumulation of protein deposits (lysozyme), and reduced absorption of charged biocides which leads to ocular staining BAUSCH & LOMB INCORPORATED (US) 2011-02-08 US disclosed
EP-2222736-A1 HIGH WATER CONTENT SILICONE HYDROGELS Bausch & Lomb Incorporated (US) 2010-09-01 EP disclosed
EP-2215501-A1 BIOMEDICAL DEVICES Bausch & Lomb Incorporated (US) 2010-08-11 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
WO-2009064589-A1 BIOMEDICAL DEVICES BAUSCH & LOMB INCORPORATED (US) 2009-05-22 WO 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 TSHR 3664/4885THRB 4452/4885ALDH1A1 4081/4885

“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.