SCHEMBL1264172

SCHEMBL1264172

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.47
THRB P10828 1/20 0.44
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NAALAD2 Q9Y3Q0 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
SCHEMBL1262620 0.87 TSHR (0.54) FOLH1THRBTSHRALDH1A1POLB
SCHEMBL1263022 0.87 TSHR (0.54) FOLH1THRBTSHRALDH1A1POLB
SCHEMBL15396415 0.82 THRB (0.45) FOLH1THRBTSHRALDH1A1POLB
SCHEMBL1263017 0.82 FOLH1 (0.49) FOLH1THRBTSHRNAALAD2
SCHEMBL8602798 0.81 THRB (0.46) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL5057246 0.81 TSHR (0.48) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL13559179 0.80 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL1263018 0.79 THRB (0.41) FOLH1THRBTSHRALDH1A1POLB
SCHEMBL18492409 0.78 THRB (0.50) FOLH1THRBTSHRALDH1A1POLB
SCHEMBL11177266 0.78 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 FOLH1 1259/4885THRB 2753/4885TSHR 4536/4885

“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.