SCHEMBL2638253

SCHEMBL2638253

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
LPAR3 Q9UBY5 5/20 0.34
LPAR2 Q9HBW0 3/20 0.34
LPAR1 Q92633 2/20 0.34
BTN3A1 O00481 1/20 0.34
THRB P10828 1/20 0.33
ALDH1A1 P00352 2/20 0.32
PGD P52209 2/20 0.32
PGK1 P00558 1/20 0.31
PGK2 P07205 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
SCHEMBL2639084 0.90 TSHR (0.38) TSHRBTN3A1THRBALDH1A1
SCHEMBL2638252 0.88 TSHR (0.39) TSHRTHRBALDH1A1
SCHEMBL3975681 0.85 LPAR3 (0.35) TSHRLPAR3LPAR2LPAR1BTN3A1
SCHEMBL288234 0.83 TSHR (0.44) TSHRLPAR3LPAR1ALDH1A1PGD
SCHEMBL17350353 0.83 TSHR (0.35) TSHRTHRBALDH1A1
SCHEMBL3411386 0.82 TSHR (0.42) TSHRTHRBALDH1A1
SCHEMBL991277 0.82 LPAR3 (0.33) TSHRLPAR3LPAR2LPAR1BTN3A1
SCHEMBL28788432 0.81 TSHR (0.43) TSHRLPAR3LPAR1ALDH1A1PGD
Ammonia Solution, Strong SCHEMBL18140024 0.81 TSHR (0.43) TSHRLPAR3LPAR1ALDH1A1PGD
SCHEMBL27898138 0.81 LPAR3 (0.36) TSHRLPAR3LPAR2LPAR1BTN3A1

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 785/4885LPAR2 700/4885

“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.