SCHEMBL2680754

SCHEMBL2680754

C=C(C)C(=O)OC(CCC)OP(=O)(OC(CCC)OC(=O)C(=C)C)OC(CCC)OC(=O)C(=C)C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TSHR P16473 3/20 0.36
THRB P10828 1/20 0.33
SMPD1 P17405 3/20 0.33
FDPS P14324 1/20 0.31
METAP1 P53582 1/20 0.31

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
SCHEMBL6786896 0.90 TSHR (0.41) ALDH1A1TSHRTHRBSMPD1FDPS
SCHEMBL180089 0.89 SMPD1 (0.47) TSHRSMPD1FDPS
SCHEMBL2680757 0.88 SMPD1 (0.46) ALDH1A1TSHRTHRBSMPD1FDPS
SCHEMBL21051150 0.87 SMPD1 (0.50) TSHRSMPD1FDPS
SCHEMBL21051158 0.87 SMPD1 (0.50) TSHRSMPD1FDPS
SCHEMBL21051156 0.87 SMPD1 (0.50) TSHRSMPD1FDPS
SCHEMBL1138116 0.87 SMPD1 (0.50) TSHRSMPD1FDPS
SCHEMBL3980871 0.86 TSHR (0.37) ALDH1A1TSHRTHRB
SCHEMBL142824 0.85 ALDH1A1 (0.46) ALDH1A1TSHRTHRB
SCHEMBL1873811 0.80 ALDH1A1 (0.46) ALDH1A1TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2450027-B1 DENTAL COMPOSITIONS HAVING SPECIAL FUNCTIONALITY AND TRI-BARREL PACKAGING KERR CORP (US) 2023-01-11 EP claimed
US-9522099-B2 Dental compositions having special functionality and a tri-barrel packaging and delivery system therefor KERR CORPORATION (US) 2016-12-20 US claimed
US-9399004-B2 Dental composition having a redox indicator and method of using same KERR CORPORATION (US) 2016-07-26 US claimed
EP-3906006-B1 FILLERS FOR DENTAL RESTORATIVE MATERIALS KERR CORP (US) 2025-09-17 EP disclosed
EP-2450026-B1 DENTAL COMPOSITION HAVING A REDOX INDICATOR AND METHOD OF USING SAME KERR CORP (US) 2023-03-15 EP disclosed
EP-2450027-B1 DENTAL COMPOSITIONS HAVING SPECIAL FUNCTIONALITY AND TRI-BARREL PACKAGING KERR CORP (US) 2023-01-11 EP disclosed
EP-3906006-A1 FILLERS FOR DENTAL RESTORATIVE MATERIALS Kerr Corporation (US) 2021-11-10 EP disclosed
US-11028340-B2 Composition for surface treatment, method for producing the same, surface treatment method using composition for surface treatment, and method for producing semiconductor substrate FUJIMI INCORPORATED (JP) 2021-06-08 US disclosed
US-10898415-B2 Fillers for dental restorative materials KERR CORPORATION (US) 2021-01-26 US disclosed
US-10876073-B2 Composition for surface treatment, and method for surface treatment using the same FUJIMI INCORPORATED 2020-12-29 US disclosed
WO-2020142098-A1 FILLERS FOR DENTAL RESTORATIVE MATERIALS KERR CORPORATION (US) 2020-07-09 WO disclosed
US-20200206090-A1 FILLERS FOR DENTAL RESTORATIVE MATERIALS KERR CORPORATION 2020-07-02 US disclosed
US-20190177656-A1 COMPOSITION FOR SURFACE TREATMENT, AND METHOD FOR SURFACE TREATMENT USING THE SAME FUJIMI INCORPORATED (JP) 2019-06-13 US disclosed
US-9522099-B2 Dental compositions having special functionality and a tri-barrel packaging and delivery system therefor KERR CORPORATION (US) 2016-12-20 US disclosed
US-9399004-B2 Dental composition having a redox indicator and method of using same KERR CORPORATION (US) 2016-07-26 US disclosed
US-20120115978-A1 DENTAL COMPOSITION HAVING A REDOX INDICATOR AND METHOD OF USING SAME KERR CORPORATION (US) 2012-05-10 US disclosed
US-20120115106-A1 DENTAL COMPOSITIONS HAVING SPECIAL FUNCTIONALITY AND A TRI-BARREL PACKAGING AND DELIVERY SYSTEM THEREFOR KERR CORPORATION (US) 2012-05-10 US disclosed
EP-2450026-A2 Dental composition having a redox indicator and method of using same Kerr Corporation (US) 2012-05-09 EP disclosed
EP-2450027-A2 Dental compositions having special functionality and a tri-barrel packaging and delivery system therefor Kerr Corporation (US) 2012-05-09 EP disclosed
US-20040259992-A1 Two-component adhesion promoter combination of an unsaturated alkoxysilane and a mercaptoalkyl alkoxysilane, for use in dental prostheses 3M ESPE AG (DE) 2004-12-23 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 (1 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-20040259992-A1 Two-component adhesion promoter combination of an unsaturated alkoxysilane and a mercaptoalkyl alkoxysilane, for use in dental prostheses ITGA2, ITGB2, ITGA2B ALDH1A1 453/4885TSHR 3882/4885THRB 1594/4885

“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.