SCHEMBL2638252

SCHEMBL2638252

C=C(C)C(=O)OC(C)CCOP(=O)(OCCC(C)OC(=O)C(=C)C)OCCC(C)OC(=O)C(=C)C

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.33
THRB P10828 1/20 0.33
CYP3A4 P08684 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
SCHEMBL2638253 0.88 TSHR (0.38) TSHRALDH1A1THRB
SCHEMBL2639084 0.88 TSHR (0.38) TSHRALDH1A1THRB
SCHEMBL17350353 0.84 TSHR (0.35) TSHRALDH1A1THRB
SCHEMBL3411386 0.84 TSHR (0.42) TSHRALDH1A1THRB
SCHEMBL715271 0.82 TSHR (0.46) TSHRALDH1A1THRBCYP3A4
SCHEMBL2540758 0.81 TSHR (0.50) TSHRALDH1A1THRB
SCHEMBL24963 0.80 TSHR (0.52) TSHRALDH1A1THRB
SCHEMBL4593744 0.79 THRB (0.52) TSHRALDH1A1THRB
SCHEMBL3136846 0.79 TSHR (0.41) TSHRALDH1A1THRB
SCHEMBL13154905 0.77 TSHR (0.44) TSHRALDH1A1THRB

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 14 patents. 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-7700668-B2 Adhesive composition with decreased polarity upon polymerization 3M ESPE AG (DE) 2010-04-20 US disclosed
EP-1639987-B1 Dental adhesive composition 3M ESPE AG (DE) 2009-08-12 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

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 4650/4885ALDH1A1 1541/4885THRB 3495/4885

“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.