SCHEMBL21980282

SCHEMBL21980282

C=C(OS(=O)(=O)c1ccc(C)cc1)C(=O)OCOC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
F2 P00734 3/20 0.37
PRSS1 P07477 3/20 0.37
PRSS2 P07478 3/20 0.37
PRSS3 P35030 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
EGFR P00533 1/20 0.36
STAT3 P40763 1/20 0.36
PAX8 Q06710 1/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL8943095 0.87 ALDH1A1 (0.46) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL18214407 0.83 ALDH1A1 (0.44) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL20608735 0.83 ALDH1A1 (0.43) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL18214401 0.83 ALDH1A1 (0.43) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL29137837 0.81 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1GAACYP1A2
SCHEMBL18214444 0.79 ALDH1A1 (0.40) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL6283149 0.78 ALDH1A1 (0.49) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL18214402 0.78 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL18214409 0.75 SMN1; SMN2 (0.43) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL18214403 0.75 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20230265220-A1 Photopolymerizable Dental Composites With Rapid Curing And Low Shrinkage Stress IVOCLAR VIVADENT AG (LI) 2023-08-24 US disclosed
US-11673980-B2 Photopolymerizable dental composites with rapid curing and low shrinkage stress IVOCLAR VIVADENT AG (LI) 2023-06-13 US disclosed
US-20200165363-A1 PHOTOPOLYMERIZABLE DENTAL COMPOSITES WITH RAPID CURING AND LOW SHRINKAGE STRESS IVOCLAR VIVADENT AG (LI) 2020-05-28 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 (3 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 ALDH1A1 355/4885F2 3085/4885PRSS1 1530/4885
US-11673980-B2 Photopolymerizable dental composites with rapid curing and low shrinkage stress MMAB, ALAD, SULT1E1 ALDH1A1 355/4885F2 3085/4885PRSS1 1530/4885
US-20200165363-A1 PHOTOPOLYMERIZABLE DENTAL COMPOSITES WITH RAPID CURING AND LOW SHRINKAGE STRESS MMAB, ALAD, SULT1E1 ALDH1A1 355/4885F2 3085/4885PRSS1 1530/4885

“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.