SCHEMBL328470

SCHEMBL328470

CC(=O)NCCc1cc(O)c(O)c(O)c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.69
ALDH1A1 P00352 1/20 0.69
LMNA P02545 1/20 0.69
MAPT P10636 1/20 0.69
HPGD P15428 1/20 0.69
PTGS1 P23219 1/20 0.69
BLM P54132 1/20 0.69
HIF1A Q16665 1/20 0.69
HSD17B10 Q99714 1/20 0.69
F13A1 P00488 1/20 0.59
PTGS2 P35354 2/20 0.50
JAK3 P52333 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MTNR1A P48039 3/20 0.45
MTNR1B P49286 3/20 0.45
DNMT1 P26358 1/20 0.42
DNMT3A Q9Y6K1 1/20 0.42

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
SCHEMBL16281798 0.87 KDM4E (0.67) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL20746326 0.84 KDM4E (0.50) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL15701163 0.81 KDM4E (0.56) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL30616852 0.81 MAPT (1.00) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL328568 0.81 MAPT (1.00) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL24277508 0.80 MAPT (0.46) KDM4EALDH1A1LMNAMAPTHPGD
Water SCHEMBL1321161 0.80 MAPT (0.97) KDM4EALDH1A1LMNAMAPTHPGD
Potassium SCHEMBL29870134 0.80 MAPT (0.97) KDM4EALDH1A1LMNAMAPTHPGD
Hydrochloric Acid SCHEMBL28839145 0.80 MAPT (0.97) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL29870429 0.80 MAPT (0.97) KDM4EALDH1A1LMNAMAPTHPGD

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 10 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
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-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
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
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
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 KDM4E 1565/4885ALDH1A1 1349/4885LMNA 3075/4885
US-20130245269-A1 Synthesis of Tripodal Catechol Derivatives Having an Adamantyl Basic Framework for Functionalizing Surfaces CHRM1, CHRM5, CHRM4 KDM4E 2443/4885ALDH1A1 465/4885LMNA 2384/4885

“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.