SCHEMBL2304685

SCHEMBL2304685

C=CC(=O)OCCCP(=O)(OCC)OCC

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.58
HPGD P15428 1/20 0.58
ALDH1A1 P00352 3/20 0.53
CYP3A4 P08684 1/20 0.53
TP53 P04637 2/20 0.44
HIF1A Q16665 2/20 0.44
PPARD Q03181 1/20 0.44
HSD17B10 Q99714 1/20 0.44
THRB P10828 2/20 0.41
ATM Q13315 1/20 0.39
HCAR2 Q8TDS4 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
BTK Q06187 2/20 0.34

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
SCHEMBL3212690 0.94 TSHR (0.59) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL978404 0.90 TSHR (0.52) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL2305261 0.84 TSHR (0.54) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL28016171 0.83 TSHR (0.57) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL2304758 0.82 ATM (0.46) TSHRHPGDPPARDATMHCAR2
SCHEMBL24549756 0.81 TSHR (0.60) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL2303000 0.80 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL16862841 0.80 TSHR (0.50) TSHRHPGDALDH1A1CYP3A4TP53
Triethyl Phosphate SCHEMBL28788446 0.80 TSHR (0.58) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL9644675 0.79 ALDH1A1 (0.52) TSHRALDH1A1PPARDHSD17B10CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10342744-B2 Compositions with controlled network structure IVOCLAR VIVADENT AG (LI) 2019-07-09 US disclosed
US-20170172855-A1 Compositions With Controlled Network Structure TECHNISCHE UNIVERSITÄT WIEN (AT) 2017-06-22 US disclosed
US-20170156993-A1 DENTAL MATERIALS WITH DEBONDING-ON-DEMAND PROPERTIES TECHNISCHE UNIVERSITÄT WIEN (AT) 2017-06-08 US disclosed
EP-3166568-A1 DENTAL MATERIALS HAVING DEBONDING-ON-DEMAND PROPERTIES Ivoclar Vivadent AG (LI) 2017-05-17 EP disclosed
EP-3166569-A1 COMPOSITES HAVING A CONTROLLED NETWORK STRUCTURE Ivoclar Vivadent AG (LI) 2017-05-17 EP disclosed
WO-2016005540-A1 DENTAL MATERIALS HAVING DEBONDING-ON-DEMAND PROPERTIES IVOCLAR VIVADENT AG (LI) 2016-01-14 WO disclosed
WO-2016005534-A1 COMPOSITES HAVING A CONTROLLED NETWORK STRUCTURE IVOCLAR VIVADENT AG (LI) 2016-01-14 WO disclosed
EP-2965740-A1 Dental materials with debonding on demand properties Ivoclar Vivadent AG (LI) 2016-01-13 EP disclosed
EP-2965741-A1 Composites with controlled network structure Ivoclar Vivadent AG (LI) 2016-01-13 EP disclosed
US-8372516-B2 (Meth)acrylate phosphonic esters as adhesion promoters BASF SE (DE) 2013-02-12 US disclosed
EP-2350215-A2 (METH)ACRYLATE PHOSPHONIC ESTERS AS ADHESION PROMOTERS BASF SE (DE) 2011-08-03 EP disclosed
US-20100112362-A1 (METH)ACRYLATE PHOSPHONIC ESTERS AS ADHESION PROMOTERS CIBA CORPORATION (US) 2010-05-06 US disclosed
WO-2010049322-A2 (METH)ACRYLATE PHOSPHONIC ESTERS AS ADHESION PROMOTERS BASF SE (DE) 2010-05-06 WO 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-20170172855-A1 Compositions With Controlled Network Structure NCLN, RAD51, SMCHD1 TSHR 4627/4885HPGD 19/4885ALDH1A1 2901/4885
US-10342744-B2 Compositions with controlled network structure NCLN, RAD51, SMCHD1 TSHR 4627/4885HPGD 19/4885ALDH1A1 2901/4885
US-20170156993-A1 DENTAL MATERIALS WITH DEBONDING-ON-DEMAND PROPERTIES DCLRE1A, RAD51, TERB1 TSHR 3799/4885HPGD 309/4885ALDH1A1 992/4885

“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.