SCHEMBL1263018

SCHEMBL1263018

C=C(C)C(=O)OCCC(CC(=O)O)P(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
FOLH1 Q04609 2/20 0.33
ALOX15 P16050 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
SCHEMBL717250 0.91 TSHR (0.45) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL5050848 0.83 TSHR (0.49) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL1264172 0.79 FOLH1 (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL3263232 0.78 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL8602798 0.77 THRB (0.46) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL5057246 0.77 TSHR (0.48) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL159197 0.76 FOLH1 (0.46) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL5059000 0.75 TSHR (0.51) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL1263017 0.75 FOLH1 (0.49) THRBTSHRFOLH1
SCHEMBL11177266 0.74 TSHR (0.46) THRBTSHRALDH1A1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6583197-B1 Excellent sustained release of fluorine; free radical polymerizable unsaturated monomer having an acid group, acid-reactive fluoroaluminsilicate glass filler, water, solvent KABUSHIKI KAISHA SHOFU (JP) 2003-06-24 US claimed
US-7879924-B2 Dental composite resin cement, dental primer and dental adhesive kit containing them KABUSHIKI KAISHA SHOFU (JP) 2011-02-01 US disclosed
US-20090048366-A1 Dental Composite Resin Cement, Dental Primer and Dental Adhesive Kit Containing Them KABUSHIKI KAISHA SHOFU (JP) 2009-02-19 US disclosed
EP-1066813-B1 Dental adhesive composition SHOFU KK (JP) 2004-10-06 EP disclosed
US-6583197-B1 Excellent sustained release of fluorine; free radical polymerizable unsaturated monomer having an acid group, acid-reactive fluoroaluminsilicate glass filler, water, solvent KABUSHIKI KAISHA SHOFU (JP) 2003-06-24 US disclosed
EP-1066813-A2 Dental adhesive composition KABUSHIKI KAISHA SHOFU (JP) 2001-01-10 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-20090048366-A1 Dental Composite Resin Cement, Dental Primer and Dental Adhesive Kit Containing Them CDH1, JMJD7, WDR91 THRB 2753/4885TSHR 4536/4885ALDH1A1 627/4885

“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.