SCHEMBL816232

SCHEMBL816232

C=C(C)C(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.64
HTT P42858 2/20 0.64
APEX1 P27695 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
MAPT P10636 4/20 0.53
ALDH1A1 P00352 3/20 0.53
NPC1 O15118 3/20 0.50
LMNA P02545 3/20 0.50
NFKB1 P19838 3/20 0.50
NFKB2 Q00653 3/20 0.50
RELA Q04206 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
GAA P10253 1/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL709455 0.97 POLB (0.60) POLBHTTAPEX1TDP1MAPT
SCHEMBL16921471 0.92 POLB (0.75) POLBHTTAPEX1TDP1MAPT
SCHEMBL14097952 0.90 POLB (0.72) POLBHTTAPEX1TDP1MAPT
SCHEMBL8820401 0.90 MAPT (0.55) POLBHTTAPEX1TDP1MAPT
SCHEMBL6467307 0.89 POLB (0.52) POLBHTTAPEX1TDP1MAPT
SCHEMBL21286708 0.89 POLB (0.71) POLBHTTAPEX1TDP1MAPT
SCHEMBL6468997 0.88 POLB (0.53) POLBHTTAPEX1TDP1MAPT
SCHEMBL8667962 0.88 POLB (0.70) POLBHTTAPEX1TDP1MAPT
SCHEMBL9004229 0.88 POLB (0.70) POLBHTTAPEX1TDP1MAPT
SCHEMBL18507786 0.88 MAPT (0.58) POLBHTTAPEX1TDP1MAPT

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
WO-2023008488-A1 POLYMER COMPOSITION AND SINGLE-LAYER RETARDATION MATERIAL 日産化学株式会社 2023-02-02 WO disclosed
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
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 POLB 792/4885HTT 2866/4885APEX1 1377/4885

“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.