SCHEMBL815784

SCHEMBL815784

C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OCC3CCC(COC)CC3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 4/20 0.43
PARP10 Q53GL7 4/20 0.43
PARP2 Q9UGN5 2/20 0.43
NPC1 O15118 2/20 0.42
LMNA P02545 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
THRB P10828 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
PRSS1 P07477 1/20 0.39
ACR P10323 1/20 0.39

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
SCHEMBL12604111 0.93 PARP15 (0.45) PARP15PARP10PARP2NPC1LMNA
SCHEMBL13040996 0.91 PARP15 (0.43) PARP15PARP10PARP2NPC1LMNA
SCHEMBL15580445 0.88 NPC1 (0.53) NPC1LMNANFKB1NFKB2RELA
SCHEMBL21982971 0.85 THRB (0.41) PARP15PARP10PARP2SMN1; SMN2HTT
SCHEMBL29343546 0.85 NPC1 (0.49) NPC1LMNANFKB1NFKB2RELA
SCHEMBL25138377 0.84 ALDH1A1 (0.54) NPC1LMNANFKB1NFKB2RELA
SCHEMBL22138758 0.84 ALDH1A1 (0.54) NPC1LMNANFKB1NFKB2RELA
SCHEMBL12592433 0.84 ALDH1A1 (0.54) NPC1LMNANFKB1NFKB2RELA
SCHEMBL22138760 0.84 ALDH1A1 (0.54) NPC1LMNANFKB1NFKB2RELA
SCHEMBL22138759 0.84 ALDH1A1 (0.54) NPC1LMNANFKB1NFKB2RELA

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
EP-2261201-B1 TRIFUNCTIONAL (METH)ACRYLATE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND DAINIPPON INK & CHEMICALS (JP) 2018-05-30 EP disclosed
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

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.