SCHEMBL33546

SCHEMBL33546

C=C(C)C(=O)OC(COC)CS(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
ALDH1A1 P00352 1/20 0.36
THRB P10828 1/20 0.33

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
SCHEMBL2726083 0.88 TSHR (0.39) TSHRALDH1A1THRB
SCHEMBL2212633 0.87 TSHR (0.50) TSHRALDH1A1THRB
SCHEMBL14546264 0.84 TSHR (0.47) TSHRALDH1A1THRB
SCHEMBL3288186 0.83 TSHR (0.36) TSHRALDH1A1THRB
SCHEMBL28331619 0.81 TSHR (0.35) TSHRALDH1A1THRB
SCHEMBL17947770 0.79 TSHR (0.42) TSHRALDH1A1THRB
SCHEMBL12808955 0.77 TSHR (0.55) TSHRALDH1A1THRB
SCHEMBL11421262 0.77 TSHR (0.38) TSHRALDH1A1
SCHEMBL42943 0.75 TSHR (0.42) TSHRALDH1A1THRB
SCHEMBL15015915 0.75 TSHR (0.31) TSHR

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6326417-B1 CONTAINING SALICYLIC ACID COMPOUND AS MICROBIOCIDES JENERIC/PENTRON INCORPORATED 2001-12-04 US claimed
EP-1973587-B1 METHODS AND SYSTEMS FOR PREPARING ANTIMICROBIAL FILMS AND COATINGS ALLACCEM INC (US) 2019-02-06 EP disclosed
US-9994444-B2 Bridged polycyclic compound based compositions for the inhibition and amelioration of disease ALLACCEM, INC. (US) 2018-06-12 US disclosed
US-9957395-B2 Methods and systems for coating a medical device ALLACCEM, INC. (US) 2018-05-01 US disclosed
US-9212286-B2 Methods and systems for coating a surface ALLACCEM, INC. (US) 2015-12-15 US disclosed
EP-2125026-B1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR THE INHIBITION AND AMELIORATION OF DISEASE ALLACCEM INC (US) 2014-09-24 EP disclosed
US-20130150809-A1 METHODS AND SYSTEMS FOR COATING A MEDICAL DEVICE ALLACCEM, INC. 2013-06-13 US disclosed
US-20130040924-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR THE INHIBITION AND AMELIORATION OF DISEASE ALLACCEM, INC. (US) 2013-02-14 US disclosed
US-8268381-B2 Methods and systems for coating a medical device ALLACCEM, INC. (US) 2012-09-18 US disclosed
US-8222239-B2 quaternary ammonium compounds, conjugated to polymers, used as microbiocides ALLACCEM, INC. (US) 2012-07-17 US disclosed
US-20090054528-A1 Bridged polycyclic compound based compositions for coating oral surfaces in pets ALLACCEM, INC. 2009-02-26 US disclosed
US-20080275141-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR THE INHIBITION AND AMELIORATION OF DISEASE ALLACCEM, INC. 2008-11-06 US disclosed
EP-1973587-A2 METHODS AND SYSTEMS FOR PREPARING ANTIMICROBIAL FILMS AND COATINGS Allaccem, Inc. (US) 2008-10-01 EP disclosed
WO-2008103847-A2 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR THE INHIBITION AND AMELIORATION OF DISEASE ALLACCEM, INCORPORATED (US) 2008-08-28 WO disclosed
US-20080207581-A1 Applying to a surface one or more bridged polycyclic compounds comprising at least two cyclic groups defined in part by quaternary ammonium moieties; microbiocides; self-cleaning ALLACCEM, INC. 2008-08-28 US disclosed
US-20080020127-A1 Methods and systems for coating a medical device ALLACCEM, INC. 2008-01-24 US disclosed
US-20080021212-A1 Methods and systems for preparing an antimicrobial composition ALLACCEM, INC. 2008-01-24 US disclosed
US-20070202342-A1 Applying to an oral surface (teeth or gums)one or more bridged polycyclic compounds comprising at least two cyclic groups defined in part by quaternary ammonium moieties; microbiocides; self-cleaning; dentistry; bonding agents, resin cements, sealants ALLACCEM, INC. 2007-08-30 US disclosed
WO-2007070801-A2 METHODS AND SYSTEMS FOR PREPARING ANTIMICROBIAL FILMS AND COATINGS ALLACCEM, INC. (US) 2007-06-21 WO disclosed
US-6326417-B1 CONTAINING SALICYLIC ACID COMPOUND AS MICROBIOCIDES JENERIC/PENTRON INCORPORATED 2001-12-04 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 (5 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-20090054528-A1 Bridged polycyclic compound based compositions for coating oral surfaces in pets PAICS, SLC16A8, CAD TSHR 4724/4885ALDH1A1 653/4885THRB 4687/4885
US-20080021212-A1 Methods and systems for preparing an antimicrobial composition DNMT1, TET2, POLR1C TSHR 4830/4885ALDH1A1 2775/4885THRB 4833/4885
US-20130040924-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR THE INHIBITION AND AMELIORATION OF DISEASE PKD1, VHL, PKD2 TSHR 4747/4885ALDH1A1 1058/4885THRB 4448/4885
US-20080207581-A1 Applying to a surface one or more bridged polycyclic compounds comprising at least two cyclic groups defined in part by quaternary ammonium moieties; microbiocides; self-cleaning DNMT1, TET2, CD14 TSHR 4651/4885ALDH1A1 2261/4885THRB 4812/4885
US-20080275141-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR THE INHIBITION AND AMELIORATION OF DISEASE PKD1, VHL, PKD2 TSHR 4747/4885ALDH1A1 1058/4885THRB 4448/4885

“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.