SCHEMBL328651

SCHEMBL328651

CC(=O)N1CCc2cc(O)c(O)cc2C1Cc1ccc(O)c(O)c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.69
DRD4 P21917 2/20 0.69
PARP1 P09874 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
DRD1 P21728 1/20 0.49
MEN1 O00255 1/20 0.48
ABL1 P00519 1/20 0.48
ALPL P05186 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
RIN1 Q13671 1/20 0.48
MTNR1B P49286 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
PDE4D Q08499 1/20 0.46

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
SCHEMBL9416632 0.84 DRD2 (0.72) DRD2DRD1MTNR1BCYP3A4CYP2D6
SCHEMBL13356020 0.82 DRD2 (1.00) DRD2DRD4PARP1ALOX15HSD17B10
SCHEMBL29617590 0.82 DRD2 (1.00) DRD2DRD4PARP1ALOX15HSD17B10
SCHEMBL16625803 0.79 MTNR1B (0.47) DRD2DRD4DRD1MEN1KMT2A
SCHEMBL13064945 0.78 LMNA (0.68) HSD17B10MEN1KMT2AMTNR1BCYP3A4
SCHEMBL31538834 0.78 LMNA (0.68) HSD17B10MEN1KMT2AMTNR1BCYP3A4
SCHEMBL3506766 0.77 MTNR1B (0.69) DRD2DRD1MEN1KMT2AMTNR1B
SCHEMBL16627051 0.77 MTNR1B (0.61) DRD2DRD1MEN1KMT2AMTNR1B
SCHEMBL9637922 0.74 LMNA (0.61) HSD17B10MEN1KMT2AMTNR1BCYP3A4
SCHEMBL18179207 0.72 DRD2 (0.89) DRD2DRD4ALOX15HSD17B10DRD1

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 13 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-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
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-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-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 DRD2 375/4885DRD4 198/4885PARP1 1944/4885
US-20130245269-A1 Synthesis of Tripodal Catechol Derivatives Having an Adamantyl Basic Framework for Functionalizing Surfaces CHRM1, CHRM5, CHRM4 DRD2 160/4885DRD4 81/4885PARP1 2050/4885

“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.