SCHEMBL40925

SCHEMBL40925

C=C(C)C(=O)OCCCOP(=O)(OCCCOC(=O)C(=C)C)OCCCOC(=O)C(=C)C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
THRB P10828 1/20 0.48
CYP3A4 P08684 2/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 4/20 0.42
BTN3A1 O00481 1/20 0.31
LPAR3 Q9UBY5 3/20 0.31
LPAR1 Q92633 2/20 0.31
LPAR2 Q9HBW0 2/20 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
SCHEMBL40719 0.96 TSHR (0.61) TSHRTHRBCYP3A4POLBAPEX1
SCHEMBL5958668 0.94 TSHR (0.65) TSHRTHRBCYP3A4POLBAPEX1
SCHEMBL5958681 0.94 TSHR (0.65) TSHRTHRBCYP3A4POLBAPEX1
SCHEMBL3195852 0.94 TSHR (0.65) TSHRTHRBCYP3A4POLBAPEX1
SCHEMBL180279 0.94 TSHR (0.65) TSHRTHRBCYP3A4POLBAPEX1
SCHEMBL5958661 0.94 TSHR (0.65) TSHRTHRBCYP3A4POLBAPEX1
SCHEMBL3690714 0.93 TSHR (0.54) TSHRTHRBCYP3A4POLBAPEX1
SCHEMBL3684416 0.91 TSHR (0.51) TSHRTHRBCYP3A4POLBAPEX1
SCHEMBL41530 0.88 THRB (0.57) TSHRTHRBCYP3A4POLBAPEX1
SCHEMBL15709964 0.88 TSHR (0.49) TSHRTHRBCYP3A4POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4746543-B2 2011-08-10 JP claimed
US-7700668-B2 Adhesive composition with decreased polarity upon polymerization 3M ESPE AG (DE) 2010-04-20 US claimed
US-20060270751-A1 Adhesive composition with decreased polarity upon polymerization 3M DEUTSCHLAND GMBH (DE) 2006-11-30 US claimed
EP-1498098-B1 Adhesive composition with decreased polarity upon polymerization 3M ESPE AG (DE) 2006-05-03 EP claimed
WO-2005004819-A1 ADHESIVE COMPOSITION WITH DECREASED POLARITY UPON POLYMERIZATION 3M ESPE AG (DE) 2005-01-20 WO claimed
EP-1498098-A1 Adhesive composition with decreased polarity upon polymerization 3M ESPE AG (DE) 2005-01-19 EP claimed
US-20230155177-A1 Lithium Secondary Battery with Improved Safety LG ENERGY SOLUTION, LTD. (KR) 2023-05-18 US disclosed
US-20230155177-A1 Lithium Secondary Battery with Improved Safety LG ENERGY SOLUTION, LTD. (KR) 2023-05-18 US disclosed
WO-2021116678-A1 IMPROVEMENTS IN, OR RELATING TO, BINDERS AND/OR COATINGS SYNTHOMER (UK) LIMITED (GB) 2021-06-17 WO disclosed
US-10711073-B2 Method of making a branched polymer, a branched polymer and uses of such a polymer SYNTHOMER (UK) LIMITED (GB) 2020-07-14 US disclosed
US-10584263-B2 Aqueous polymer-silicon oil hybrid composition BASF SE (DE) 2020-03-10 US disclosed
EP-3434698-A1 METHOD OF MAKING A BRANCHED POLYMER, A BRANCHED POLYMER AND USES OF SUCH A POLYMER Synthomer (UK) Ltd. (GB) 2019-01-30 EP disclosed
EP-3119815-B1 METHOD OF MAKING A BRANCHED POLYMER, A BRANCHED POLYMER AND USES OF SUCH A POLYMER SYNTHOMER UK LTD (GB) 2018-06-20 EP disclosed
US-20060270751-A1 Adhesive composition with decreased polarity upon polymerization 3M DEUTSCHLAND GMBH (DE) 2006-11-30 US disclosed
EP-1498098-B1 Adhesive composition with decreased polarity upon polymerization 3M ESPE AG (DE) 2006-05-03 EP disclosed
US-20060069181-A1 Dental adhesive composition 3M ESPE AG 2006-03-30 US disclosed
EP-1639987-A1 Dental adhesive composition 3M Espe AG (DE) 2006-03-29 EP disclosed
WO-2005004819-A1 ADHESIVE COMPOSITION WITH DECREASED POLARITY UPON POLYMERIZATION 3M ESPE AG (DE) 2005-01-20 WO disclosed
EP-1498098-A1 Adhesive composition with decreased polarity upon polymerization 3M ESPE AG (DE) 2005-01-19 EP disclosed
US-5677101-A CONTAINING AN O-QUINONEDIAZIDE COMPOUND KONICA CORPORATION (JP) 1997-10-14 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-20060270751-A1 Adhesive composition with decreased polarity upon polymerization PTK2, PHOSPHO1, ITGA1 TSHR 4650/4885THRB 3495/4885CYP3A4 4432/4885

“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.