SCHEMBL816442

SCHEMBL816442

C=CC(=O)OCCOCCOC(=O)c1ccc(OCC2CCC(COC)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 4/20 0.45
PARP10 Q53GL7 4/20 0.45
PARP2 Q9UGN5 2/20 0.45
THRB P10828 1/20 0.42
ALDH1A1 P00352 5/20 0.41
TP53 P04637 2/20 0.41
TSHR P16473 2/20 0.41
HIF1A Q16665 2/20 0.41
HSD17B10 Q99714 1/20 0.41
ABCB11 O95342 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2B P18089 1/20 0.38
OPRD1 P41143 1/20 0.38
SCN5A Q14524 1/20 0.38
MAPT P10636 4/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
LMNA P02545 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36

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
SCHEMBL13040989 0.90 PARP15 (0.46) PARP15PARP10PARP2THRBALDH1A1
SCHEMBL815784 0.84 PARP15 (0.43) PARP15PARP10PARP2THRBALDH1A1
SCHEMBL815952 0.84 THRB (0.52) PARP15PARP10PARP2THRBHPGD
SCHEMBL17036989 0.81 THRB (0.63) THRBALDH1A1TP53TSHRHIF1A
SCHEMBL816455 0.80 PARP15 (0.50) PARP15PARP10PARP2THRBHPGD
SCHEMBL17036983 0.79 THRB (0.56) THRBALDH1A1TP53TSHRHIF1A
SCHEMBL17036978 0.78 THRB (0.58) THRBALDH1A1TP53TSHRHIF1A
SCHEMBL22369984 0.78 MAPT (0.65) THRBALDH1A1TP53TSHRHIF1A
SCHEMBL12918664 0.78 MAPT (0.65) THRBALDH1A1TP53TSHRHIF1A
SCHEMBL25501438 0.77 THRB (0.57) THRBALDH1A1TP53TSHRHIF1A

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.