SCHEMBL1930629

SCHEMBL1930629

CCOc1ccc(/C(C#N)=C\C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.47
PARP10 Q53GL7 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
PDE4A P27815 6/20 0.46
PDE4B Q07343 6/20 0.46
PDE4C Q08493 6/20 0.46
PDE4D Q08499 6/20 0.46
NPC1 O15118 1/20 0.44
PLK1 P53350 1/20 0.44
GAA P10253 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
NQO2 P16083 1/20 0.42
PLA2G4B P0C869 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL1930630 1.00 NQO1 (0.47) NQO1PARP10PRSS1PRSS2PRSS3
SCHEMBL14273167 0.85 NQO1 (0.48) NQO1PARP10PRSS1PRSS2PRSS3
SCHEMBL28531601 0.81 NQO2 (0.61) NQO1PDE4APDE4BPDE4CPDE4D
SCHEMBL8746692 0.81 NQO2 (0.61) NQO1PDE4APDE4BPDE4CPDE4D
SCHEMBL29483462 0.81 NQO2 (0.61) NQO1PDE4APDE4BPDE4CPDE4D
SCHEMBL21457764 0.80 PARP10 (0.47) PARP10NPC1PLK1GAAALDH1A1
SCHEMBL16413555 0.80 NQO1 (0.47) NQO1PARP10PRSS1PRSS2PRSS3
SCHEMBL16413553 0.80 NQO1 (0.47) NQO1PARP10PRSS1PRSS2PRSS3
SCHEMBL16413554 0.80 NQO1 (0.47) NQO1PARP10PRSS1PRSS2PRSS3
SCHEMBL27589047 0.77 CYP2A6 (0.44) PDE4APDE4BPDE4CPDE4DPLK1

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-20110137064-A1 METHACRYLATE-BOUND PHOTOISOMERIZABLE CHROMOPHORE, METHODS FOR ITS SYNTHESIS MEMPILE INC. (US) 2011-06-09 US disclosed
US-20090161516-A1 METHACRYLATE-BOUND PHOTOISMERIZABLE CHROMOPHORE, METHODS FOR ITS SYNTHESIS AND OF ITS INTERMEDIATES MEMPILE INC. (US) 2009-06-25 US disclosed
EP-1888511-A1 A METHACRYLATE-BOUND PHOTOISOMERIZABLE CHROMOPHORE, METHODS FOR ITS SYNTHESIS AND OF ITS INTERMEDIATES Mempile Inc. (US) 2008-02-20 EP disclosed
WO-2006117791-A1 A METHACRYLATE-BOUND PHOTOISOMERIZABLE CHROMOPHORE, METHODS FOR ITS SYNTHESIS AND OF ITS INTERMEDIATES MEMPILE INC. (US) 2006-11-09 WO 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 (2 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-20110137064-A1 METHACRYLATE-BOUND PHOTOISOMERIZABLE CHROMOPHORE, METHODS FOR ITS SYNTHESIS MMAB, TET3, KDM2B NQO1 4379/4885PARP10 1249/4885PRSS1 4440/4885
US-20090161516-A1 METHACRYLATE-BOUND PHOTOISMERIZABLE CHROMOPHORE, METHODS FOR ITS SYNTHESIS AND OF ITS INTERMEDIATES MMAB, HMBS, KDM2B NQO1 4140/4885PARP10 928/4885PRSS1 4373/4885

“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.