SCHEMBL3284657

SCHEMBL3284657

C=C(C)C(=O)OC(CC)COP(=O)(OCC(CC)OC(=O)C(=C)C)OCC(CC)OC(=O)C(=C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
CYP3A4 P08684 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.33
THRB P10828 1/20 0.33
PGD P52209 1/20 0.31
LPAR3 Q9UBY5 3/20 0.31
LPAR1 Q92633 2/20 0.31
ENPP2 Q13822 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL27838293 0.92 TSHR (0.36) TSHRCYP3A4L3MBTL1ALDH1A1THRB
SCHEMBL2638511 0.88 PGD (0.42) TSHRPGDLPAR3LPAR1ENPP2
SCHEMBL2639660 0.88 TSHR (0.38) TSHRALDH1A1THRBPGDLPAR3
SCHEMBL898473 0.85 LPAR3 (0.39) TSHRALDH1A1THRBPGDLPAR3
SCHEMBL8599613 0.85 TSHR (0.50) TSHRCYP3A4L3MBTL1ALDH1A1THRB
SCHEMBL17350444 0.84 TSHR (0.35) TSHRALDH1A1THRB
SCHEMBL24549483 0.82 L3MBTL1 (0.38) L3MBTL1ALDH1A1
SCHEMBL440616 0.81 TSHR (0.45) TSHRALDH1A1THRB
SCHEMBL158386 0.80 TSHR (0.57) TSHRALDH1A1THRB
SCHEMBL17947770 0.80 TSHR (0.42) TSHRALDH1A1THRBLPAR3LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 4650/4885CYP3A4 4432/4885L3MBTL1 3030/4885

“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.