SCHEMBL3263232

SCHEMBL3263232

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
TSHR P16473 3/20 0.46
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 2/20 0.37
ALOX15 P16050 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CACNA2D1 P54289 2/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
CACNA2D2 Q9NY47 1/20 0.32
MAPT P10636 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
SCHEMBL3173661 0.90 THRB (0.42) THRBTSHRPOLBAPEX1HTT
SCHEMBL159197 0.82 FOLH1 (0.46) THRBTSHRPOLBAPEX1HTT
SCHEMBL3802304 0.81 THRB (0.55) THRBTSHRPOLBAPEX1HTT
SCHEMBL6757327 0.81 TSHR (0.59) THRBTSHRPOLBAPEX1HTT
SCHEMBL4313868 0.81 THRB (0.55) THRBTSHRPOLBAPEX1HTT
SCHEMBL23646638 0.80 THRB (0.42) THRBTSHRPOLBAPEX1HTT
SCHEMBL674035 0.80 THRB (0.42) THRBTSHRPOLBAPEX1HTT
SCHEMBL11023086 0.79 THRB (0.48) THRBTSHRPOLBAPEX1HTT
SCHEMBL8156029 0.79 THRB (0.39) THRBTSHRPOLBAPEX1HTT
SCHEMBL13559179 0.79 THRB (0.52) THRBTSHRPOLBAPEX1HTT

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-20100021869-A1 (METH)ACRYLOYL-CONTAINING MATERIALS, COMPOSITIONS, AND METHODS 3M INNOVATIVE PROPERTIES COMPANY 2010-01-28 US claimed
EP-2114350-A1 (METH)ACRYLOYL-CONTAINING MATERIALS, COMPOSITIONS, AND METHODS 3M Innovative Properties Company (US) 2009-11-11 EP claimed
WO-2008082881-A1 (METH)ACRYLOYL-CONTAINING MATERIALS, COMPOSITIONS, AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-07-10 WO claimed
US-20100021869-A1 (METH)ACRYLOYL-CONTAINING MATERIALS, COMPOSITIONS, AND METHODS 3M INNOVATIVE PROPERTIES COMPANY 2010-01-28 US disclosed
EP-2114350-A1 (METH)ACRYLOYL-CONTAINING MATERIALS, COMPOSITIONS, AND METHODS 3M Innovative Properties Company (US) 2009-11-11 EP disclosed
WO-2008082881-A1 (METH)ACRYLOYL-CONTAINING MATERIALS, COMPOSITIONS, AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-07-10 WO 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-20100021869-A1 (METH)ACRYLOYL-CONTAINING MATERIALS, COMPOSITIONS, AND METHODS MT-CO1, PAM, MT-CO2 THRB 804/4885TSHR 2522/4885POLB 2716/4885

“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.