SCHEMBL5859549

SCHEMBL5859549

CCOC(=O)C(C(=O)OCC)C1C=CCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 3/20 0.38
KDM4E B2RXH2 1/20 0.34
SLC22A1 O15245 1/20 0.33
SLC6A2 P23975 3/20 0.32
SLC6A3 Q01959 3/20 0.32
SLC6A4 P31645 2/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL10835660 0.90 L3MBTL1 (0.41) ALDH1A1USP2ALOX15TDP1L3MBTL1
SCHEMBL23466931 0.84 ALDH1A1 (0.43) ALDH1A1USP2ALOX15TDP1L3MBTL1
SCHEMBL6312583 0.82 ALDH1A1 (0.38) ALDH1A1USP2ALOX15TDP1L3MBTL1
SCHEMBL16599630 0.81 MAPT (0.40) ALDH1A1USP2ALOX15TDP1NPSR1
SCHEMBL15974381 0.81 MAPT (0.40) ALDH1A1USP2ALOX15TDP1NPSR1
SCHEMBL13766514 0.75 MAPT (0.36) MAPT
SCHEMBL14572814 0.74 ALDH1A1 (0.45) ALDH1A1USP2ALOX15TDP1KDM4E
SCHEMBL16614399 0.74 MAPT (0.37) ALDH1A1USP2ALOX15TDP1NPSR1
SCHEMBL3401832 0.72 MAPT (0.30) TDP1MAPT
SCHEMBL10394018 0.72 ALDH1A1 (0.38) ALDH1A1USP2ALOX15TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11772085-B2 Far superior oxidation catalysts based on macrocyclic compounds CARNEGIE MELLON UNIVERSITY (US) 2023-10-03 US disclosed
EP-4015511-A1 OXIDATION CATALYSTS BASED ON MACROCYCLIC COMPOUNDS CARNEGIE MELLON UNIVERSITY (US) 2022-06-22 EP disclosed
EP-3353157-B1 OXIDATION CATALYSTS BASED ON MACROCYCLIC COMPOUNDS UNIV CARNEGIE MELLON (US) 2021-11-24 EP disclosed
US-20210086171-A1 FAR SUPERIOR OXIDATION CATALYSTS BASED ON MACROCYCLIC COMPOUNDS CARNEGIE MELLON UNIVERSITY 2021-03-25 US disclosed
US-10926248-B2 Far superior oxidation catalysts based on macrocyclic compounds CARNEGIE MELLON UNIVERSITY (US) 2021-02-23 US disclosed
US-20180304247-A1 FAR SUPERIOR OXIDATION CATALYSTS BASED ON MACROCYCLIC COMPOUNDS CARNEGIE MELLON UNIVERSITY 2018-10-25 US disclosed
US-8999913-B2 Fragrance mixtures containing cyclopent-2-enyl ethyl acetate SYMRISE AG (DE) 2015-04-07 US disclosed
US-20130172429-A1 FRAGRANCE MIXTURES CONTAINING CYCLOPENT-2-ENYL ETHYL ACETATE SYMRISE AG (DE) 2013-07-04 US disclosed
EP-2474301-A1 Perfume mixtures containing Cyclopent-2-Enyl-ethyl acetate Symrise AG (DE) 2012-07-11 EP disclosed
US-7060818-B2 Synthesis of macrocyclic tetraamido compounds and new metal insertion process CARNEGIE MELLON UNIVERSITY (US) 2006-06-13 US disclosed
WO-2004076425-A1 IMPROVED SYNTHESIS OF MACROCYCLIC TETRAAMIDO COMPOUNDS AND NEW METAL INSERTION PROCESS CARNEGIE MELLON UNIVERSITY (US) 2004-09-10 WO disclosed
EP-0914206-B1 LONG-LIVED HOMOGENOUS OXIDATION CATALYSTS UNIV CARNEGIE MELLON (US) 2002-12-11 EP disclosed
US-6100394-A Long-lived homogenous oxidation catalysts CARNEGIE MELLON UNIVERSITY (US) 2000-08-08 US disclosed
US-6054580-A STERICALLY HINDERED CROWN COMPOUND LIGAND FOR COMPLEXING WITH TRANSITION METAL AS OXIDATION CATALYST RESISTANT TO OXIDIZER DURING USE CARNEGIE MELLON UNIVERSITY (US) 2000-04-25 US disclosed
US-6051704-A REACTING AN AMINO CARBOXYLIC ACID WITH AN ACTIVATED DERIVATIVE SELECTED FROM THE GROUP CONSISTING OF OXALATES AND MALONATES IN THE PRESENCE OF A SUPPORTING SOLVENT AND HEAT TO FORM AN INTERMEDIATE, ADDING A DIAMINE, HEATING CARNEGIE MELLON UNIVERSITY (US) 2000-04-18 US disclosed
US-6011152-A REACTING STOICHIOMETRIC AMOUNTS OR MORE OF AN AMINO CARBOXYLIC ACID OR A PROTECTED/ACTIVATED FOR THEREOF WITH AN ACTIVATED DERVATIVE SELECTED FROM THE GROUP CONSISTING OF OXALATES AND MALONATES IN THE PRESENCE OF A SOLVENT AND HEAT CARNEGIE MELLON UNIVERSITY (US) 2000-01-04 US disclosed
EP-0914206-A1 LONG-LIVED HOMOGENOUS OXIDATION CATALYSTS CARNEGIE-MELLON UNIVERSITY (US) 1999-05-12 EP disclosed
WO-1998003263-A1 LONG-LIVED HOMOGENOUS OXIDATION CATALYSTS CARNEGIE MELLON UNIVERSITY (US) 1998-01-29 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 (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-10926248-B2 Far superior oxidation catalysts based on macrocyclic compounds ME3, SOD1, DUOX1 ALDH1A1 1400/4885USP2 3004/4885ALOX15 1021/4885
US-20180304247-A1 FAR SUPERIOR OXIDATION CATALYSTS BASED ON MACROCYCLIC COMPOUNDS ME3, SOD1, DUOX1 ALDH1A1 1400/4885USP2 3004/4885ALOX15 1021/4885
US-11772085-B2 Far superior oxidation catalysts based on macrocyclic compounds SOD1, ME3, ME2 ALDH1A1 1499/4885USP2 2920/4885ALOX15 1140/4885
US-20210086171-A1 FAR SUPERIOR OXIDATION CATALYSTS BASED ON MACROCYCLIC COMPOUNDS ME3, ME2, ME1 ALDH1A1 1801/4885USP2 3389/4885ALOX15 1739/4885

“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.