SCHEMBL2680757

SCHEMBL2680757

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

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.46
ALDH1A1 P00352 2/20 0.36
TSHR P16473 3/20 0.35
FDPS P14324 1/20 0.34
METAP1 P53582 2/20 0.33
THRB P10828 1/20 0.33
PTPN1 P18031 1/20 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
SCHEMBL6786901 0.90 SMPD1 (0.56) SMPD1TSHRFDPSPTPN1
SCHEMBL180090 0.89 SMPD1 (0.63) SMPD1TSHRFDPSPTPN1
SCHEMBL2680754 0.88 ALDH1A1 (0.38) SMPD1ALDH1A1TSHRFDPSMETAP1
SCHEMBL21051159 0.88 SMPD1 (0.66) SMPD1TSHRFDPSPTPN1
SCHEMBL21051151 0.88 SMPD1 (0.66) SMPD1TSHRFDPSPTPN1
SCHEMBL36372 0.88 SMPD1 (0.66) SMPD1TSHRFDPSPTPN1
SCHEMBL2019664 0.86 SMPD1 (0.41) SMPD1ALDH1A1TSHRTHRB
SCHEMBL28354355 0.86 SMPD1 (0.36) SMPD1ALDH1A1TSHRFDPSTHRB
SCHEMBL28240308 0.85 SMPD1 (0.40) SMPD1ALDH1A1TSHRTHRB
SCHEMBL16439881 0.84 THRB (0.41) SMPD1ALDH1A1TSHRTHRB

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
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-0509516-B1 Dental restoration composition SANKIN IND CO (JP) 1997-03-26 EP claimed
EP-0509516-A2 Dental restoration composition SANKIN KOGYO KABUSHIKI KAISHA (JP) 1992-10-21 EP claimed
EP-3906006-B1 FILLERS FOR DENTAL RESTORATIVE MATERIALS KERR CORP (US) 2025-09-17 EP disclosed
US-11708498-B2 Photocurable resin composition, method for preparing the same, and optical film comprising the same SHTN-A T&C (KR) 2023-07-25 US disclosed
CN-110402478-B Surface treatment composition, method for producing same, surface treatment method using surface treatment composition, and method for producing semiconductor substrate 福吉米株式会社 2023-07-04 CN disclosed
CN-110383426-B Surface treatment composition, method for producing same, surface treatment method using surface treatment composition, and method for producing semiconductor substrate 福吉米株式会社 2023-05-09 CN 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-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
EP-0509516-B1 Dental restoration composition SANKIN IND CO (JP) 1997-03-26 EP disclosed
EP-0509516-A2 Dental restoration composition SANKIN KOGYO KABUSHIKI KAISHA (JP) 1992-10-21 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 (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 SMPD1 3800/4885ALDH1A1 453/4885TSHR 3882/4885

“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.