SCHEMBL816437

SCHEMBL816437

C=CC(=O)Oc1ccc(C#Cc2ccc(C#N)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.46
F2 P00734 1/20 0.44
PARP15 Q460N3 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
POLB P06746 2/20 0.43
MGLL Q99685 2/20 0.43
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
IL18 Q14116 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MMP2 P08253 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 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
SCHEMBL343191 0.95 THRB (0.50) THRBF2PARP15PARP10PARP2
SCHEMBL12348184 0.91 THRB (0.53) THRBKDM4EMEN1RAB9AKMT2A
SCHEMBL16182694 0.91 THRB (0.53) THRBKDM4EMEN1RAB9AKMT2A
SCHEMBL103216 0.90 MMP2 (0.51) THRBF2PARP15PARP10PARP2
SCHEMBL18328879 0.85 PPARD (0.43) THRBF2PARP15PARP10PARP2
SCHEMBL12354572 0.85 ALDH1A1 (0.50) THRBF2PARP15PARP10PARP2
SCHEMBL14558156 0.84 FFAR1 (0.54) THRBMAPTACACB
SCHEMBL14275339 0.83 KMT2A (0.50) THRBMAPTMEN1LMNAKMT2A
SCHEMBL13297284 0.83 THRB (0.50) THRBLMNAALDH1A1CA1CA2
SCHEMBL19851949 0.83 APP (0.50) THRBF2PARP10MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8512597-B2 Polymerizable optically active imide compound and polymerizable composition containing the compound ADEKA CORPORATION (JP) 2013-08-20 US disclosed
US-8512597-B2 Polymerizable optically active imide compound and polymerizable composition containing the compound ADEKA CORPORATION (JP) 2013-08-20 US disclosed
US-8057701-B2 Trifunctional (meth)acrylate compound and polymerizable composition containing same ADEKA CORPORATION (JP) 2011-11-15 US disclosed
EP-2325168-A1 POLYMERIZABLE OPTICALLY ACTIVE IMIDE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND Adeka Corporation (JP) 2011-05-25 EP disclosed
US-20110108765-A1 POLYMERIZABLE OPTICALLY ACTIVE IMIDE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND ADEKA CORPORATION (JP) 2011-05-12 US disclosed
US-20110108765-A1 POLYMERIZABLE OPTICALLY ACTIVE IMIDE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND ADEKA CORPORATION (JP) 2011-05-12 US disclosed
US-7919009-B2 Polymerizable compounds and polymerizable compositions ADEKA CORPORATION (JP) 2011-04-05 US disclosed
US-7919009-B2 Polymerizable compounds and polymerizable compositions ADEKA CORPORATION (JP) 2011-04-05 US disclosed
US-7910021-B2 Polymerizable optical active compound and polymerizable composition containing the same ADEKA CORPORATION (JP) 2011-03-22 US disclosed
US-7910021-B2 Polymerizable optical active compound and polymerizable composition containing the same ADEKA CORPORATION (JP) 2011-03-22 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
US-20100032621-A1 POLYMERIZABLE COMPOUNDS AND POLYMERIZABLE COMPOSITIONS ADEKA CORPORATION (JP) 2010-02-11 US disclosed
US-20100032621-A1 POLYMERIZABLE COMPOUNDS AND POLYMERIZABLE COMPOSITIONS ADEKA CORPORATION (JP) 2010-02-11 US disclosed
US-20100032620-A1 POLYMERIZABLE OPTICAL ACTIVE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE SAME ADEKA CORPORATION (JP) 2010-02-11 US disclosed
US-20100032620-A1 POLYMERIZABLE OPTICAL ACTIVE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE SAME ADEKA CORPORATION (JP) 2010-02-11 US disclosed
US-20070282087-A1 Polymerizable Compound And Composition Containing The Polymerizable Compound ADEKA CORPORATION (JP) 2007-12-06 US disclosed
EP-1813594-A1 POLYMERIZABLE COMPOUND AND COMPOSITION CONTAINING THE POLYMERIZABLE COMPOUND Adeka Corporation (JP) 2007-08-01 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 (4 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-20110108765-A1 POLYMERIZABLE OPTICALLY ACTIVE IMIDE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND H1-4, XPO4, F12 THRB 4794/4885F2 119/4885PARP15 2107/4885
US-20100032620-A1 POLYMERIZABLE OPTICAL ACTIVE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE SAME C1S, PYM1, MCCC2 THRB 3247/4885F2 209/4885PARP15 4597/4885
US-20100032621-A1 POLYMERIZABLE COMPOUNDS AND POLYMERIZABLE COMPOSITIONS CHRM1, CHRM2, CCNE1 THRB 4880/4885F2 55/4885PARP15 2658/4885
US-20110037025-A1 TRIFUNCTIONAL (METH)ACRYLATE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING SAME PYM1, MT-CO1, MAT1A THRB 341/4885F2 41/4885PARP15 2023/4885

“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.