SCHEMBL2641079

SCHEMBL2641079

C=C(C)C(=O)OCCOCCOP(=O)(OCCOCCOC(=O)C(=C)C)OCCOCCOC(=O)C(=C)C

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.61
TSHR P16473 7/20 0.46
CYP3A4 P08684 2/20 0.46
ALDH1A1 P00352 6/20 0.41
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 2/20 0.35
HIF1A Q16665 2/20 0.35
HSD17B10 Q99714 1/20 0.35
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
BTN3A1 O00481 1/20 0.30

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
SCHEMBL41530 0.94 THRB (0.57) THRBTSHRCYP3A4ALDH1A1POLB
SCHEMBL13716858 0.93 THRB (0.64) THRBTSHRCYP3A4ALDH1A1POLB
SCHEMBL14097731 0.93 THRB (0.64) THRBTSHRCYP3A4ALDH1A1POLB
Phosphoric Acid SCHEMBL18787889 0.91 THRB (0.53) THRBTSHRCYP3A4ALDH1A1POLB
SCHEMBL4066760 0.87 THRB (0.59) THRBTSHRCYP3A4ALDH1A1POLB
SCHEMBL4066752 0.87 THRB (0.59) THRBTSHRCYP3A4ALDH1A1POLB
SCHEMBL6690732 0.87 THRB (0.59) THRBTSHRCYP3A4ALDH1A1POLB
SCHEMBL22219483 0.87 THRB (0.59) THRBTSHRCYP3A4ALDH1A1POLB
SCHEMBL4797967 0.87 THRB (0.59) THRBTSHRCYP3A4ALDH1A1POLB
SCHEMBL846315 0.87 THRB (0.59) THRBTSHRCYP3A4ALDH1A1POLB

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 16 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
EP-1956058-B1 Ink composition for inkjet-recording and method for inkjet-recording FUJIFILM CORP (JP) 2009-08-12 EP disclosed
EP-1956058-A1 Ink composition for inkjet-recording and method for inkjet-recording FUJIFILM Corporation (JP) 2008-08-13 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 THRB 3495/4885TSHR 4650/4885CYP3A4 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.