SCHEMBL21980241

SCHEMBL21980241

C=C(C)C(=O)OCCOc1ccc(C(C)(C)c2ccc(OC(COC(=O)C(=C)C)OCC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.42
POLB P06746 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
APEX1 P27695 1/20 0.42
AR P10275 1/20 0.38
KDM4E B2RXH2 10/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 2/20 0.38
THRB P10828 1/20 0.37
ALDH1A1 P00352 7/20 0.36
LMNA P02545 2/20 0.34
HIF1A Q16665 1/20 0.34
TSHR P16473 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
SCHEMBL8957781 0.88 AR (0.43) HTTPOLBTDP1APEX1AR
Propane SCHEMBL9476274 0.84 HTT (0.53) HTTPOLBTDP1APEX1AR
SCHEMBL59813 0.84 POLB (0.56) HTTPOLBTDP1APEX1AR
SCHEMBL14173142 0.84 POLB (0.56) HTTPOLBTDP1APEX1AR
SCHEMBL8957784 0.82 HTT (0.45) HTTPOLBTDP1APEX1AR
SCHEMBL17159501 0.82 THRB (0.39) HTTPOLBTDP1APEX1AR
SCHEMBL10779474 0.82 TSHR (0.38) HTTPOLBTDP1APEX1SMN1; SMN2
SCHEMBL3440176 0.81 HTT (0.48) HTTPOLBTDP1APEX1AR
SCHEMBL15257100 0.81 HTT (0.46) HTTPOLBTDP1APEX1AR
SCHEMBL7907432 0.81 AR (0.54) HTTPOLBTDP1APEX1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3427715-B1 DENTAL MATERIALS BASED ON LOW VISCOSITY RADICALLY POLYMERIZABLE MONOMERS HAVING A HIGH REFRACTIVE INDEX IVOCLAR VIVADENT AG (LI) 2021-03-03 EP 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 HTT 439/4885POLB 1242/4885TDP1 2537/4885
US-11673980-B2 Photopolymerizable dental composites with rapid curing and low shrinkage stress MMAB, ALAD, SULT1E1 HTT 439/4885POLB 1242/4885TDP1 2537/4885
US-20200165363-A1 PHOTOPOLYMERIZABLE DENTAL COMPOSITES WITH RAPID CURING AND LOW SHRINKAGE STRESS MMAB, ALAD, SULT1E1 HTT 439/4885POLB 1242/4885TDP1 2537/4885

“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.