SCHEMBL816455

SCHEMBL816455

C=CC(=O)Oc1ccc(OCC2CCC(COC)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 5/20 0.50
PARP10 Q53GL7 5/20 0.50
PARP2 Q9UGN5 2/20 0.50
THRB P10828 2/20 0.47
TDP1 Q9NUW8 1/20 0.42
HPGD P15428 2/20 0.42
ACACB O00763 3/20 0.40

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
SCHEMBL815952 0.83 THRB (0.52) PARP15PARP10PARP2THRBTDP1
SCHEMBL815784 0.82 PARP15 (0.43) PARP15PARP10PARP2THRBTDP1
SCHEMBL816442 0.80 PARP15 (0.45) PARP15PARP10PARP2THRBHPGD
SCHEMBL21982971 0.79 THRB (0.41) PARP15PARP10PARP2THRBTDP1
SCHEMBL8601311 0.78 PARP10 (0.51) PARP15PARP10PARP2TDP1
SCHEMBL8601309 0.78 PARP10 (0.51) PARP15PARP10PARP2TDP1
SCHEMBL8673552 0.77 PARP15 (0.51) PARP15PARP10PARP2TDP1
SCHEMBL4631636 0.76 PDE4B (0.43) PARP15PARP10PARP2THRB
SCHEMBL20195803 0.76 PARP15 (0.42) PARP15PARP10PARP2TDP1HPGD
SCHEMBL12796997 0.75 THRB (0.54) THRBACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8057701-B2 Trifunctional (meth)acrylate compound and polymerizable composition containing same ADEKA CORPORATION (JP) 2011-11-15 US disclosed
US-20110037025-A1 TRIFUNCTIONAL (METH)ACRYLATE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING SAME ADEKA CORPORATION (JP) 2011-02-17 US disclosed
US-20110037025-A1 TRIFUNCTIONAL (METH)ACRYLATE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING SAME ADEKA CORPORATION (JP) 2011-02-17 US disclosed
EP-2261201-A1 TRIFUNCTIONAL (METH)ACRYLATE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND Adeka Corporation (JP) 2010-12-15 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-20110037025-A1 TRIFUNCTIONAL (METH)ACRYLATE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING SAME PYM1, MT-CO1, MAT1A PARP15 2023/4885PARP10 1889/4885PARP2 607/4885

“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.