SCHEMBL4774447

SCHEMBL4774447

C=CC(=O)OCCCS(C)(=O)=O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.61
ALDH1A1 P00352 4/20 0.61
CYP3A4 P08684 2/20 0.61
HPGD P15428 1/20 0.60
TP53 P04637 3/20 0.50
HIF1A Q16665 3/20 0.50
HSD17B10 Q99714 1/20 0.50
THRB P10828 2/20 0.42
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
HCAR2 Q8TDS4 3/20 0.35
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
FFAR1 O14842 1/20 0.31
EGFR P00533 2/20 0.31
ITK Q08881 2/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL6688386 0.88 TSHR (0.54) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL25068790 0.86 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL5610913 0.83 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL14882 0.82 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL21117527 0.81 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL316981 0.81 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL2457988 0.81 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL20816539 0.81 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL474181 0.81 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
Potassium SCHEMBL29895343 0.81 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111228124-B Rapidly curing and low shrinkage stress photopolymerizable dental composites 义获嘉伟瓦登特公司 2024-04-09 CN claimed
US-20230265220-A1 Photopolymerizable Dental Composites With Rapid Curing And Low Shrinkage Stress IVOCLAR VIVADENT AG (LI) 2023-08-24 US claimed
US-11673980-B2 Photopolymerizable dental composites with rapid curing and low shrinkage stress IVOCLAR VIVADENT AG (LI) 2023-06-13 US claimed
CN-111228124-A Rapid curing and low shrinkage stress photopolymerizable dental composites 义获嘉伟瓦登特公司 2020-06-05 CN claimed
US-20200165363-A1 PHOTOPOLYMERIZABLE DENTAL COMPOSITES WITH RAPID CURING AND LOW SHRINKAGE STRESS IVOCLAR VIVADENT AG (LI) 2020-05-28 US claimed
US-6107365-A A COPOLYMER OF METHACRYLATE FUNCTIONAL SULFOXIDE, SULFIDE OR SULFONE MONOMERS AND A COMONOMER SELECTED FROM HYDROPHILIC OR HYDROPHOBIC MATERIAL SELECTED FROM ACRYLMIDE, ACRYLATE, METHACRYLATE, SILOXANE, VINYL AND A DERIVATIVE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-08-22 US claimed
CN-111228124-B Rapidly curing and low shrinkage stress photopolymerizable dental composites 义获嘉伟瓦登特公司 2024-04-09 CN disclosed
US-20230265220-A1 Photopolymerizable Dental Composites With Rapid Curing And Low Shrinkage Stress IVOCLAR VIVADENT AG (LI) 2023-08-24 US disclosed
US-20230248000-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE AEQUOR, INC. (US) 2023-08-10 US disclosed
US-11673980-B2 Photopolymerizable dental composites with rapid curing and low shrinkage stress IVOCLAR VIVADENT AG (LI) 2023-06-13 US disclosed
CN-111228124-A Rapid curing and low shrinkage stress photopolymerizable dental composites 义获嘉伟瓦登特公司 2020-06-05 CN disclosed
US-20200165363-A1 PHOTOPOLYMERIZABLE DENTAL COMPOSITES WITH RAPID CURING AND LOW SHRINKAGE STRESS IVOCLAR VIVADENT AG (LI) 2020-05-28 US disclosed
EP-3070138-B1 ULTRAVIOLET SCATTERING AGENT AND APPLICATION THEREFOR NISSHINBO HOLDINGS INC (JP) 2019-01-02 EP disclosed
US-20070054123-A1 Oval-spherical organic polymer particles and method of production NISSHINBO INDUSTRIES, INC. (JP) 2007-03-08 US disclosed
EP-1721911-A1 OVAL-SPHERICAL ORGANIC POLYMER PARTICLE AND PROCESS FOR PRODUCING THE SAME Nisshinbo Industries, Inc. (JP) 2006-11-15 EP disclosed
US-6552103-B1 Soft contact lenses and biomedical implants THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-04-22 US disclosed
EP-1017737-A4 NOVEL BIOMIMETIC HYDROGEL MATERIALS UNIV CALIFORNIA (US) 2002-06-26 EP disclosed
US-6107365-A A COPOLYMER OF METHACRYLATE FUNCTIONAL SULFOXIDE, SULFIDE OR SULFONE MONOMERS AND A COMONOMER SELECTED FROM HYDROPHILIC OR HYDROPHOBIC MATERIAL SELECTED FROM ACRYLMIDE, ACRYLATE, METHACRYLATE, SILOXANE, VINYL AND A DERIVATIVE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-08-22 US disclosed
EP-1017737-A1 NOVEL BIOMIMETIC HYDROGEL MATERIALS The Regents of the University of California (US) 2000-07-12 EP disclosed
WO-1999011692-A1 NOVEL BIOMIMETIC HYDROGEL MATERIALS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-03-11 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 (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-20230265220-A1 Photopolymerizable Dental Composites With Rapid Curing And Low Shrinkage Stress MMAB, ALAD, SULT1E1 TSHR 3592/4885ALDH1A1 355/4885CYP3A4 2303/4885
US-11673980-B2 Photopolymerizable dental composites with rapid curing and low shrinkage stress MMAB, ALAD, SULT1E1 TSHR 3592/4885ALDH1A1 355/4885CYP3A4 2303/4885
US-20200165363-A1 PHOTOPOLYMERIZABLE DENTAL COMPOSITES WITH RAPID CURING AND LOW SHRINKAGE STRESS MMAB, ALAD, SULT1E1 TSHR 3592/4885ALDH1A1 355/4885CYP3A4 2303/4885
US-20230248000-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE DDT, PFAS, CASP10 TSHR 1007/4885ALDH1A1 3276/4885CYP3A4 986/4885

“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.