SCHEMBL328571

SCHEMBL328571

CC(=O)NCC(O)c1ccc(O)c(O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 10/20 0.65
MAPT P10636 10/20 0.65
KDM4E B2RXH2 9/20 0.65
ADRB2 P07550 8/20 0.65
HSD17B10 Q99714 6/20 0.65
TSHR P16473 5/20 0.65
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
ADRB1 P08588 5/20 0.65
MAPK1 P28482 5/20 0.65
CYP1A2 P05177 4/20 0.65
HIF1A Q16665 4/20 0.65
ADRB3 P13945 4/20 0.65
CYP3A4 P08684 4/20 0.65
MTOR P42345 3/20 0.65
ADORA3 P0DMS8 3/20 0.65
DRD2 P14416 3/20 0.65
ADRA1D P25100 3/20 0.65
ADRA1A P35348 3/20 0.65
ADRA1B P35368 3/20 0.65

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
SCHEMBL16281786 0.87 NPC1 (0.52) TDP1MAPTKDM4EADRB2HSD17B10
Racepinephrine SCHEMBL21248121 0.82 TDP1 (0.84) TDP1MAPTKDM4EADRB2HSD17B10
Epinephrine SCHEMBL21248119 0.82 TDP1 (0.84) TDP1MAPTKDM4EADRB2HSD17B10
Racepinephrine SCHEMBL28584300 0.82 TDP1 (0.84) TDP1MAPTKDM4EADRB2HSD17B10
SCHEMBL17469083 0.81 NPC1 (0.64) TDP1MAPTKDM4EADRB2TSHR
SCHEMBL26292967 0.81 ADRB2 (0.61) TDP1MAPTKDM4EADRB2HSD17B10
SCHEMBL10931417 0.80 TDP1 (0.56) TDP1MAPTKDM4EADRB2HSD17B10
SCHEMBL27338455 0.80 MAPT (0.57) TDP1MAPTKDM4EADRB2HSD17B10
SCHEMBL10882684 0.79 MAPT (0.56) TDP1MAPTKDM4EADRB2HSD17B10
Racepinephrine SCHEMBL20493843 0.79 KDM4E (1.00) TDP1MAPTKDM4EADRB2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110818585-B Separation method for simultaneously preparing five dopamine compounds from aspongopus 遵义医科大学 2023-05-30 CN claimed
CN-110818585-B Separation method for simultaneously preparing five dopamine compounds from aspongopus 遵义医科大学 2023-05-30 CN disclosed
US-20170216335-A1 METHODS, COMPOSITIONS, AND FORMULATIONS FOR PREVENTING OR REDUCING ADVERSE EFFECTS IN A PATIENT PERICOR THERAPEUTICS INC (US) 2017-08-03 US disclosed
US-20170216335-A1 METHODS, COMPOSITIONS, AND FORMULATIONS FOR PREVENTING OR REDUCING ADVERSE EFFECTS IN A PATIENT PERICOR THERAPEUTICS INC (US) 2017-08-03 US disclosed
EP-3132796-A1 METHODS, COMPOSITIONS, AND FORMULATIONS FOR PREVENTING OR REDUCING ADVERSE EFFECTS IN A PATIENT Pericor Therapeutics, Inc. (US) 2017-02-22 EP disclosed
US-9539274-B2 Methods, compositions, and formulations for preventing or reducing adverse effects in a patient PERICOR THERAPEUTICS, INC. (US) 2017-01-10 US disclosed
US-9539274-B2 Methods, compositions, and formulations for preventing or reducing adverse effects in a patient PERICOR THERAPEUTICS, INC. (US) 2017-01-10 US disclosed
US-20150272978-A1 METHODS, COMPOSITIONS, AND FORMULATIONS FOR PREVENTING OR REDUCING ADVERSE EFFECTS IN A PATIENT PERICOR THERAPEUTICS, INC. 2015-10-01 US disclosed
US-20150272978-A1 METHODS, COMPOSITIONS, AND FORMULATIONS FOR PREVENTING OR REDUCING ADVERSE EFFECTS IN A PATIENT PERICOR THERAPEUTICS, INC. 2015-10-01 US disclosed
US-8993527-B2 Methods, compositions, and formulations for preventing or reducing adverse effects in a patient PERICOR THERAPEUTICS, INC. (US) 2015-03-31 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-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-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 (4 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-20150272978-A1 METHODS, COMPOSITIONS, AND FORMULATIONS FOR PREVENTING OR REDUCING ADVERSE EFFECTS IN A PATIENT TNNC1, ASAH2, PGF TDP1 1988/4885MAPT 4347/4885KDM4E 2756/4885
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
US-20170216335-A1 METHODS, COMPOSITIONS, AND FORMULATIONS FOR PREVENTING OR REDUCING ADVERSE EFFECTS IN A PATIENT TNNC1, ASAH2, PGF TDP1 1988/4885MAPT 4347/4885KDM4E 2756/4885

“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.