SCHEMBL469871

SCHEMBL469871

CNC(=O)c1cc(O)c(O)c(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
LMNA P02545 3/20 0.61
TDP1 Q9NUW8 3/20 0.61
POLB P06746 2/20 0.61
GAA P10253 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
ALDH1A1 P00352 2/20 0.61
MAPT P10636 2/20 0.61
NSD2 O96028 1/20 0.61
ALPL P05186 1/20 0.61
ALPI P09923 1/20 0.61
ALPG P10696 1/20 0.61
APEX1 P27695 1/20 0.61
HTT P42858 1/20 0.61
RECQL P46063 1/20 0.61
BLM P54132 1/20 0.61
CASP6 P55212 1/20 0.61
TOP1 P11387 3/20 0.57
TOP2A P11388 3/20 0.57
TOP2B Q02880 3/20 0.57

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
SCHEMBL15495188 0.87 GAA (0.48) KDM4ELMNATDP1POLBGAA
SCHEMBL16281846 0.87 KDM4E (0.48) KDM4ELMNATDP1POLBGAA
SCHEMBL15495178 0.86 ALDH1A1 (0.51) KDM4ELMNATDP1POLBGAA
SCHEMBL28235986 0.85 KDM4E (0.67) KDM4ELMNATDP1POLBGAA
SCHEMBL6431280 0.82 KDM4E (0.44) KDM4ELMNATDP1POLBGAA
SCHEMBL4478521 0.82 HDAC8 (0.60) ALDH1A1HTTCA2HPGDSMN1; SMN2
Gallic Acid SCHEMBL5875216 0.81 KDM4E (0.81) KDM4ELMNATDP1POLBGAA
SCHEMBL27398256 0.79 HDAC8 (0.45) KDM4ELMNATDP1POLBGAA
SCHEMBL131601 0.78 KDM4E (0.64) KDM4ELMNATDP1POLBGAA
SCHEMBL328702 0.77 HDAC6 (0.67) KDM4EPOLBGAAL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210171883-A1 ANTIVIRAL WIPER FUJIFILM CORPORATION (JP) 2021-06-10 US disclosed
US-20160346424-A1 ADHESIVE COMPOUNDS AND METHODS USE FOR HERNIA REPAIR KNC NER ACQUISITION SUB, INC. 2016-12-01 US disclosed
US-20160032047-A1 Peg-based adhesive phenylic derivatives and methods of synthesis and use DSM IP ASSETS B.V. (NL) 2016-02-04 US disclosed
US-8912332-B2 Synthesis of trivalent flexible frameworks with ligands comprising catechol units for functionalizing surfaces JUSTUS-LIEBIG-UNIVERSITAET GIESSEN (DE) 2014-12-16 US disclosed
US-8912332-B2 Synthesis of trivalent flexible frameworks with ligands comprising catechol units for functionalizing surfaces JUSTUS-LIEBIG-UNIVERSITAET GIESSEN (DE) 2014-12-16 US disclosed
EP-2428503-B1 Synthesis of tripodal catechol derivatives with a flexible base for functionalising surfaces Justus Liebig Universität Giessen (DE) 2014-12-10 EP disclosed
EP-2428502-B1 Synthesis of tripodal catechol derivatives with an adamantyl base for functionalising surfaces Justus Liebig Universität Giessen (DE) 2014-12-10 EP disclosed
US-8785641-B2 Synthesis of tripodal catechol derivatives having an adamantyl basic framework for functionalizing surfaces JUSTUS-LIEBIG-UNIVERSITAT GIESSEN (DE) 2014-07-22 US disclosed
US-8785641-B2 Synthesis of tripodal catechol derivatives having an adamantyl basic framework for functionalizing surfaces JUSTUS-LIEBIG-UNIVERSITAT GIESSEN (DE) 2014-07-22 US disclosed
US-20130245270-A1 Synthesis of Trivalent Flexible Frameworks with Ligands Comprising Catechol Units for Functionalizing Surfaces JUSTUS-LIEBIG-UNIVERSITAT GIESSEN (DE) 2013-09-19 US disclosed
US-20130245270-A1 Synthesis of Trivalent Flexible Frameworks with Ligands Comprising Catechol Units for Functionalizing Surfaces JUSTUS-LIEBIG-UNIVERSITAT GIESSEN (DE) 2013-09-19 US disclosed
US-20130245269-A1 Synthesis of Tripodal Catechol Derivatives Having an Adamantyl Basic Framework for Functionalizing Surfaces JUSTUS-LIEBIG-UNIVERSITA GIESSEN (DE) 2013-09-19 US disclosed
US-20130245269-A1 Synthesis of Tripodal Catechol Derivatives Having an Adamantyl Basic Framework for Functionalizing Surfaces JUSTUS-LIEBIG-UNIVERSITA GIESSEN (DE) 2013-09-19 US disclosed
WO-2012032084-A1 SYNTHESIS OF TRIPODAL CATECHOL DERIVATIVES HAVING AN ADAMANTYL BASIC FRAMEWORK FOR FUNCTIONALIZING SURFACES JUSTUS-LIEBIG-UNIVERSITÄT GIESSEN (DE) 2012-03-15 WO disclosed
WO-2012032085-A1 SYNTHESIS OF TRIVALENT FLEXIBLE FRAMEWORKS WITH LIGANDS COMPRISING CATECHOL UNITS FOR FUNCTIONALIZING SURFACES JUSTUS-LIEBIG-UNIVERSITÄT GIESSEN (DE) 2012-03-15 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-20130245270-A1 Synthesis of Trivalent Flexible Frameworks with Ligands Comprising Catechol Units for Functionalizing Surfaces CHRM3, CHRM5, CHRM4 KDM4E 1565/4885LMNA 3075/4885TDP1 4517/4885
US-20130245269-A1 Synthesis of Tripodal Catechol Derivatives Having an Adamantyl Basic Framework for Functionalizing Surfaces CHRM1, CHRM5, CHRM4 KDM4E 2443/4885LMNA 2384/4885TDP1 3262/4885
US-20210171883-A1 ANTIVIRAL WIPER CGAS, PRKX, PDE4C KDM4E 523/4885LMNA 1615/4885TDP1 743/4885

“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.