SCHEMBL2639660

SCHEMBL2639660

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
LPAR3 Q9UBY5 4/20 0.35
LPAR1 Q92633 3/20 0.35
FABP3 P05413 1/20 0.34
PLA2G2C Q5R387 1/20 0.34
PGD P52209 1/20 0.33
ENPP2 Q13822 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
THRB P10828 1/20 0.33
ALDH1A1 P00352 2/20 0.32
PLA2G2A P14555 1/20 0.32
SMPD1 P17405 1/20 0.31
BTN3A1 O00481 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
SCHEMBL898473 0.94 LPAR3 (0.39) TSHRLPAR3LPAR1FABP3PLA2G2C
SCHEMBL2638511 0.90 PGD (0.42) TSHRLPAR3LPAR1PGDENPP2
SCHEMBL3284657 0.88 TSHR (0.39) TSHRLPAR3LPAR1PGDENPP2
SCHEMBL3448811 0.88 PLA2G2C (0.48) TSHRLPAR3LPAR1FABP3PLA2G2C
SCHEMBL22407279 0.87 TSHR (0.38) TSHRLPAR3LPAR1FABP3PLA2G2C
SCHEMBL2640230 0.85 TSHR (0.49) TSHRLPAR3LPAR1FABP3PGD
SCHEMBL12274757 0.84 LPAR3 (0.40) TSHRLPAR3LPAR1FABP3PLA2G2C
SCHEMBL27838293 0.84 TSHR (0.36) TSHRTHRBALDH1A1
SCHEMBL17350444 0.83 TSHR (0.35) TSHRTHRBALDH1A1PLA2G2A
SCHEMBL26207058 0.82 PGD (0.46) LPAR3LPAR1FABP3PLA2G2CPGD

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 4650/4885LPAR3 785/4885LPAR1 716/4885

“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.