SCHEMBL2059903

SCHEMBL2059903

C=C1CSCC(OC(C)=O)CSC1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32

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
Acetic Acid SCHEMBL4637617 0.96 KDM4E (0.33) KDM4ETSHRALDH1A1POLBHSD17B10
SCHEMBL16383373 0.81 KDM4E (0.33) KDM4ETSHRALDH1A1POLBHSD17B10
SCHEMBL10039168 0.80 KMT2A (0.30) KDM4EKMT2ANPSR1
SCHEMBL10092111 0.76 KMT2A (0.37) KDM4EKMT2ANPSR1CHRM2CHRM4
SCHEMBL10092172 0.74 LMNA (0.36)
SCHEMBL14351243 0.73
SCHEMBL14351242 0.73
SCHEMBL9146956 0.73
SCHEMBL10092182 0.71 PTPN1 (0.48) KDM4ETSHRALDH1A1POLBHSD17B10
SCHEMBL19261972 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879543-B1 DENTAL COMPOSITIONS CONTAINING HYBRID MONOMERS 3M INNOVATIVE PROPERTIES CO (US) 2012-11-21 EP disclosed
EP-1879543-B1 DENTAL COMPOSITIONS CONTAINING HYBRID MONOMERS 3M INNOVATIVE PROPERTIES CO (US) 2012-11-21 EP disclosed
US-20120010322-A1 Dental materials based on dimer acid derivatives with ring opening polymerizable groups IVOCLAR VIVADENT AG (LI) 2012-01-12 US disclosed
US-7888400-B2 comprises a cyclic allylic sulfide moiety attached to a (meth)acryloyl moiety and photoinitiators, having shrinkage inhibition, compressive and tensile strength, used in dentistry as crowns, fillers, adhesives, seals, inserts, laminate veneers or cements 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-02-15 US disclosed
US-7888400-B2 comprises a cyclic allylic sulfide moiety attached to a (meth)acryloyl moiety and photoinitiators, having shrinkage inhibition, compressive and tensile strength, used in dentistry as crowns, fillers, adhesives, seals, inserts, laminate veneers or cements 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-02-15 US disclosed
US-7888400-B2 comprises a cyclic allylic sulfide moiety attached to a (meth)acryloyl moiety and photoinitiators, having shrinkage inhibition, compressive and tensile strength, used in dentistry as crowns, fillers, adhesives, seals, inserts, laminate veneers or cements 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-02-15 US disclosed
US-20100297588-A1 DENTAL COMPOSITIONS WITH NATURAL TOOTH FLUORESCENCE AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-11-25 US disclosed
US-20100241225-A1 CURABLE RESIN COMPOSITION FOR INTRAOCULAR LENS, INTRACULAR LENS MATERIAL AND INTRACULAR LENS FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
US-20100241225-A1 CURABLE RESIN COMPOSITION FOR INTRAOCULAR LENS, INTRACULAR LENS MATERIAL AND INTRACULAR LENS FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
EP-2214621-A2 DENTAL COMPOSITIONS WITH NATURAL TOOTH FLUORESCENCE AND METHODS 3M Innovative Properties Company (US) 2010-08-11 EP disclosed
EP-2065890-A2 Optical recording composition and holographic recording medium FUJIFILM Corporation (JP) 2009-06-03 EP disclosed
WO-2009058854-A2 DENTAL COMPOSITIONS WITH NATURAL TOOTH FLUORESCENCE AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-05-07 WO disclosed
US-20090118389-A1 Hardenable dental compositions with low polymerization shrinkage 3M INNOVATIVE PROPERTIES COMPANY 2009-05-07 US disclosed
US-20090118389-A1 Hardenable dental compositions with low polymerization shrinkage 3M INNOVATIVE PROPERTIES COMPANY 2009-05-07 US disclosed
US-20090118389-A1 Hardenable dental compositions with low polymerization shrinkage 3M INNOVATIVE PROPERTIES COMPANY 2009-05-07 US disclosed
US-20080194722-A1 Dental Compositions Containing Hybrid Monomers 3M INNOVATIVE PROPERTIES COMPANY 2008-08-14 US disclosed
US-20080194722-A1 Dental Compositions Containing Hybrid Monomers 3M INNOVATIVE PROPERTIES COMPANY 2008-08-14 US disclosed
US-20080194722-A1 Dental Compositions Containing Hybrid Monomers 3M INNOVATIVE PROPERTIES COMPANY 2008-08-14 US disclosed
US-20070287792-A1 Dental materials based on ring-opening polymerizable acid monomers IVOCLAR VIVADENT AG (LI) 2007-12-13 US disclosed
EP-1864642-A1 Dental material based on ring-openable, polymerisable, acidic monomers Ivoclar Vivadent AG (LI) 2007-12-12 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 (4 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-20120010322-A1 Dental materials based on dimer acid derivatives with ring opening polymerizable groups F12, CAD, HBG2 KDM4E 1874/4885TSHR 3691/4885ALDH1A1 2546/4885
US-20080194722-A1 Dental Compositions Containing Hybrid Monomers CAD, ESD, SMCHD1 KDM4E 2653/4885TSHR 4556/4885ALDH1A1 295/4885
US-20100297588-A1 DENTAL COMPOSITIONS WITH NATURAL TOOTH FLUORESCENCE AND METHODS PITHD1, DDX24, DACH1 KDM4E 2142/4885TSHR 3551/4885ALDH1A1 3070/4885
US-20090118389-A1 Hardenable dental compositions with low polymerization shrinkage DYNC1LI1, EPN1, DYNC1LI2 KDM4E 421/4885TSHR 4374/4885ALDH1A1 1591/4885

“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.