SCHEMBL328574

SCHEMBL328574

CC(=O)N(C)CC(O)c1ccc(O)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 10/20 0.51
MAPT P10636 10/20 0.51
KDM4E B2RXH2 10/20 0.51
BLM P54132 8/20 0.51
ADRB2 P07550 8/20 0.51
HSD17B10 Q99714 6/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
MAPK1 P28482 5/20 0.51
ADRB1 P08588 5/20 0.51
TSHR P16473 5/20 0.51
HIF1A Q16665 5/20 0.51
RECQL P46063 4/20 0.51
ADRA1D P25100 4/20 0.51
ADRB3 P13945 4/20 0.51
CYP3A4 P08684 4/20 0.51
LMNA P02545 4/20 0.51
CYP1A2 P05177 4/20 0.51
APEX1 P27695 3/20 0.51
ADRA2A P08913 3/20 0.51

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
SCHEMBL23040664 0.89 KDM4E (0.53) TDP1MAPTKDM4EBLMADRB2
SCHEMBL23040663 0.89 KDM4E (0.53) TDP1MAPTKDM4EBLMADRB2
SCHEMBL521780 0.82 MAPT (0.58) TDP1MAPTKDM4EBLMADRB2
SCHEMBL521779 0.82 MAPT (0.58) TDP1MAPTKDM4EBLMADRB2
SCHEMBL23318970 0.82 MAPT (0.46) TDP1MAPTKDM4EBLMADRB2
SCHEMBL11212431 0.81 MAPT (0.44) TDP1MAPTKDM4EBLMADRB2
SCHEMBL10878881 0.81 MAPT (0.44) TDP1MAPTKDM4EBLMADRB2
SCHEMBL17053665 0.81 MAPT (0.56) TDP1MAPTKDM4EBLMADRB2
SCHEMBL12238827 0.81 TAAR1 (0.47) TDP1MAPTKDM4EBLMMEN1
SCHEMBL29633156 0.81 TAAR1 (0.47) TDP1MAPTKDM4EBLMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2428502-B1 Synthesis of tripodal catechol derivatives with an adamantyl base for functionalising surfaces Justus Liebig Universität Giessen (DE) 2014-12-10 EP 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
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-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
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
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
EP-2428503-A1 Synthesis of tripodal catechol derivatives with a flexible base for functionalising surfaces Justus-Liebig-Universität Gießen (DE) 2012-03-14 EP disclosed
EP-2428502-A1 Synthesis of tripodal catechol derivatives with an adamantyl base for functionalising surfaces Justus-Liebig-Universität Gießen (DE) 2012-03-14 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 (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-20130245270-A1 Synthesis of Trivalent Flexible Frameworks with Ligands Comprising Catechol Units for Functionalizing Surfaces CHRM3, CHRM5, CHRM4 TDP1 4517/4885MAPT 4034/4885KDM4E 1565/4885
US-20130245269-A1 Synthesis of Tripodal Catechol Derivatives Having an Adamantyl Basic Framework for Functionalizing Surfaces CHRM1, CHRM5, CHRM4 TDP1 3262/4885MAPT 2680/4885KDM4E 2443/4885

“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.