SCHEMBL5693155

SCHEMBL5693155

c1ccc2c(c1)CC1OC2Cc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
KDM1A O60341 4/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
L3MBTL4 Q8NA19 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR2A P28223 1/20 0.39
KMT2A Q03164 1/20 0.39
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL7660405 0.79 CHRNB2 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17666050 0.73 HTR2C (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2696782 0.73 KMT2A (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5061699 0.73 KMT2A (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2370159 0.73 KMT2A (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8201616 0.73 KMT2A (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29032068 0.73 L3MBTL4 (0.43) L3MBTL4L3MBTL1HTR2ASIGMAR1
SCHEMBL1036653 0.72 CHRNB2 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL26129523 0.71 KMT2A (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29598614 0.70 SLC6A2 (0.44) HTR2A

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758671-B2 Strain-promoted crosslinking of PEG-based hydrogels via copper-free cycloaddition BECKER MATTHEW (US) 2017-09-12 US disclosed
US-9758671-B2 Strain-promoted crosslinking of PEG-based hydrogels via copper-free cycloaddition BECKER MATTHEW (US) 2017-09-12 US disclosed
US-9758671-B2 Strain-promoted crosslinking of PEG-based hydrogels via copper-free cycloaddition BECKER MATTHEW (US) 2017-09-12 US disclosed
EP-2879716-B1 STRAIN-PROMOTED CROSSLINKING OF PEG-BASED HYDROGELS VIA COPPER-FREE CYCLOADDITION UNIV AKRON (US) 2017-05-17 EP disclosed
US-20170107513-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) BANK OF AMERICA, N.A. 2017-04-20 US disclosed
US-20170107513-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) BANK OF AMERICA, N.A. 2017-04-20 US disclosed
EP-2879665-B1 POLYMERIC STRUCTURES CONTAINING STRAINED CYCLOALKYNE FUNCTIONALITY FOR POST-FABRICATION AZIDEALKYNE CYCLOADDITION FUNCTIONALIZATION UNIV AKRON (US) 2017-03-29 EP disclosed
US-9587070-B2 Polymeric structures containing strained cycloalkyne functionality for post-fabrication azidealkyne cycloaddition functionalization THE UNIVERSITY OF AKRON 2017-03-07 US disclosed
US-9566340-B2 Monomers and oligonucleotides comprising cycloaddition adduct(s) ALNYLAM PHARMACEUTICALS, INC. (US) 2017-02-14 US disclosed
US-9566340-B2 Monomers and oligonucleotides comprising cycloaddition adduct(s) ALNYLAM PHARMACEUTICALS, INC. (US) 2017-02-14 US disclosed
WO-2014022535-A1 POLYMERIC STRUCTURES CONTAINING STRAINED CYCLOALKYNE FUNCTIONALITY FOR POST-FABRICATION AZIDEALKYNE CYCLOADDITION FUNCTIONALIZATION THE UNIVERSITY OF AKRON (US) 2014-02-06 WO disclosed
US-20130053334-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) ALNYLAM PHARMACEUTICALS, INC. (US) 2013-02-28 US disclosed
US-20130053334-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) ALNYLAM PHARMACEUTICALS, INC. (US) 2013-02-28 US disclosed
WO-2011100131-A9 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) ALNYLAM PHARMACUTICALS, INC. (US) 2011-10-20 WO disclosed
WO-2011100131-A2 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) ALNYLAM PHARMACUTICALS, INC. (US) 2011-08-18 WO disclosed
EP-1412393-B1 OLEFIN POLYMERIZATION CATALYSTS CONTAINING CHELATING DIANIONIC LIGANDS EQUISTAR CHEM LP (US) 2006-05-03 EP disclosed
EP-1412393-A1 OLEFIN POLYMERIZATION CATALYSTS CONTAINING CHELATING DIANIONIC LIGANDS Equistar Chemicals, LP (US) 2004-04-28 EP disclosed
US-6544918-B1 Efficiency EQUISTAR CHEMICALS, LP 2003-04-08 US disclosed
US-20030055276-A1 OLEFIN POLYMERIZATION CATALYSTS CONTAINING CHELATING DIANIONIC LIGANDS EQUISTAR CHEMICALS, LP 2003-03-20 US disclosed
WO-2003008464-A1 OLEFIN POLYMERIZATION CATALYSTS CONTAINING CHELATING DIANIONIC LIGANDS EQUISTAR CHEMICALS, LP (US) 2003-01-30 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 (3 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-20030055276-A1 OLEFIN POLYMERIZATION CATALYSTS CONTAINING CHELATING DIANIONIC LIGANDS PUF60, CAD, PCNA GRIN2D 3747/4885GRIN3B 1432/4885GRIN1 1981/4885
US-20130053334-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) DNMT1, FANCI, PCNA GRIN2D 2563/4885GRIN3B 1779/4885GRIN1 1369/4885
US-20170107513-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) FANCI, PCNA, DNMT1 GRIN2D 2508/4885GRIN3B 1691/4885GRIN1 1391/4885

“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.