SCHEMBL180279

SCHEMBL180279

C=C(C)C(=O)OCCCCCCOP(=O)(OCCCCCCOC(=O)C(=C)C)OCCCCCCOC(=O)C(=C)C

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.65
POLB P06746 1/20 0.49
APEX1 P27695 1/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
THRB P10828 1/20 0.47
CYP3A4 P08684 3/20 0.42
ALDH1A1 P00352 3/20 0.41
LPAR3 Q9UBY5 4/20 0.37
LPAR2 Q9HBW0 3/20 0.37
LPAR1 Q92633 2/20 0.37
NAAA Q02083 1/20 0.33
RAD52 P43351 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL5958661 1.00 TSHR (0.65) TSHRPOLBAPEX1HTTTDP1
SCHEMBL5958668 1.00 TSHR (0.65) TSHRPOLBAPEX1HTTTDP1
SCHEMBL5958681 1.00 TSHR (0.65) TSHRPOLBAPEX1HTTTDP1
SCHEMBL3195852 1.00 TSHR (0.65) TSHRPOLBAPEX1HTTTDP1
SCHEMBL40719 0.98 TSHR (0.61) TSHRPOLBAPEX1HTTTDP1
SCHEMBL40925 0.94 TSHR (0.56) TSHRPOLBAPEX1HTTTDP1
SCHEMBL27985384 0.91 TSHR (0.59) TSHRPOLBAPEX1HTTTDP1
SCHEMBL27838291 0.89 TSHR (0.56) TSHRPOLBAPEX1HTTTDP1
SCHEMBL23002887 0.89 TSHR (0.56) TSHRPOLBAPEX1HTTTDP1
SCHEMBL5746182 0.89 TSHR (0.56) TSHRPOLBAPEX1HTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2976323-B1 HIGH REFRACTIVE INDEX ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES CO (US) 2020-07-15 EP disclosed
EP-3259323-B1 ADDITION-FRAGMENTATION OLIGOMERS 3M INNOVATIVE PROPERTIES CO (US) 2020-02-26 EP disclosed
EP-2747737-B1 DENTAL COMPOSITIONS COMPRISING ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES CO (US) 2019-09-25 EP disclosed
US-20190091108-A1 DENTAL FILLERS, METHODS, AND COMPOSITIONS INCLUDING A PHOSPHATE SALT 3M INNOVATIVE PROPERTIES CO (US) 2019-03-28 US disclosed
US-10137061-B2 Dental fillers and compositions including phosphate salts 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-11-27 US disclosed
EP-2931756-B1 ADDITION-FRAGMENTATION OLIGOMERS 3M INNOVATIVE PROPERTIES CO (US) 2018-08-08 EP disclosed
EP-3058014-B1 ALLYL DISULFIDE-CONTAINING ADDITION-FRAGMENTATION OLIGOMERS 3M INNOVATIVE PROPERTIES CO (US) 2018-06-20 EP disclosed
EP-3046962-B1 TRITHIOCARBONATE-CONTAINING ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES CO (US) 2018-05-23 EP disclosed
EP-3259323-A1 ADDITION-FRAGMENTATION OLIGOMERS 3M Innovative Properties Company (US) 2017-12-27 EP disclosed
US-9758478-B2 Allyl disulfide-containing addition-fragmentation oligomers 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-09-12 US disclosed
EP-1819313-A1 DENTAL FILLERS AND COMPOSITIONS INCLUDING PHOSPHATE SALTS 3M Innovative Properties Company (US) 2007-08-22 EP disclosed
EP-1811944-A1 DENTAL FILLERS, METHODS, COMPOSITIONS INCLUDING A CASEINATE 3M Innovative Properties Company (US) 2007-08-01 EP disclosed
EP-1811942-A1 DENTAL COMPOSITIONS WITH CALCIUM PHOSPHORUS RELEASING GLASS 3M Innovative Properties Company (US) 2007-08-01 EP disclosed
WO-2006098882-A1 HARDENABLE ANTIMICROBIAL DENTAL COMPOSITIONS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-09-21 WO disclosed
US-20060205838-A1 Hardenable antimicrobial dental compositions and methods 3M INNOVATIVE PROPERTIES COMPANY 2006-09-14 US disclosed
WO-2006055329-A2 DENTAL FILLERS INCLUDING A PHOSPHORUS-CONTAINING SURFACE TREATMENT 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-05-26 WO disclosed
WO-2006055328-A1 DENTAL FILLERS, METHODS, COMPOSITIONS INCLUDING A CASEINATE 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-05-26 WO disclosed
WO-2006055317-A1 DENTAL COMPOSITIONS WITH CALCIUM PHOSPHORUS RELEASING GLASS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-05-26 WO disclosed
WO-2006055327-A1 DENTAL FILLERS AND COMPOSITIONS INCLUDING PHOSPHATE SALTS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-05-26 WO disclosed
CN-1310720-A Organophosphorus compounds for dental polymerizable compositions KURARAY CO (JP) 2001-08-29 CN 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-20060205838-A1 Hardenable antimicrobial dental compositions and methods PLIN3, LIPA, PHOSPHO1 TSHR 4480/4885POLB 419/4885APEX1 103/4885
US-20190091108-A1 DENTAL FILLERS, METHODS, AND COMPOSITIONS INCLUDING A PHOSPHATE SALT CD44, PPA1, RPN1 TSHR 3498/4885POLB 1418/4885APEX1 1518/4885
US-10137061-B2 Dental fillers and compositions including phosphate salts PPA1, RPN1, DCPS TSHR 3696/4885POLB 1292/4885APEX1 1353/4885

“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.