SCHEMBL17175237

SCHEMBL17175237

CC(C)C(=O)NCCCCCN

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 2/20 0.61
GNAI3 P08754 1/20 0.57
GNAO1 P09471 1/20 0.57
GNAI1 P63096 1/20 0.57
RRM1 P23921 1/20 0.51
SIRT6 Q8N6T7 1/20 0.51
SIRT1 Q96EB6 1/20 0.51
DPP7 Q9UHL4 2/20 0.49
ALDH1A2 O94788 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ALDH2 P05091 1/20 0.48
ALDH1A3 P47895 1/20 0.48
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL14228092 1.00 PAOX (0.61) PAOXGNAI3GNAO1GNAI1RRM1
SCHEMBL15858573 1.00 PAOX (0.61) PAOXGNAI3GNAO1GNAI1RRM1
SCHEMBL11650885 0.98 PAOX (0.57) PAOXGNAI3GNAO1GNAI1RRM1
SCHEMBL823169 0.91 CYP2D6 (0.50) PAOXGNAI3GNAO1GNAI1RRM1
SCHEMBL23188735 0.89 ALDH1A1 (0.58) PAOXGNAI3GNAO1GNAI1RRM1
SCHEMBL23839910 0.89 ALDH1A1 (0.58) PAOXGNAI3GNAO1GNAI1RRM1
SCHEMBL17777241 0.89 ALDH1A1 (0.58) PAOXGNAI3GNAO1GNAI1RRM1
SCHEMBL861034 0.87 KMT2A (0.57) RRM1DPP7ALDH1A2ALDH1A1ALDH2
SCHEMBL22203843 0.86 PAOX (0.50) PAOXGNAI3GNAO1GNAI1CYP2C9
SCHEMBL15623802 0.86 GNAI3 (0.60) PAOXGNAI3GNAO1GNAI1RRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067650-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2024-02-29 US disclosed
WO-2023150540-A1 HYDROXAMIC ACID MACROCYCLIC AGENTS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. (US) 2023-08-10 WO disclosed
US-11691997-B2 Macrocycles LUMIPHORE, INC. (US) 2023-07-04 US disclosed
US-20230174679-A1 NITRIC OXIDE-RELEASING ANTIBACTERIAL POLYMERS AND SCAFFOLDS FABRICATED THEREFROM AND METHODS PERTAINING THERETO THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2023-06-08 US disclosed
WO-2022087317-A1 THIOHYDROXYPYRIDINE CHELATES LUMIPHORE, INC. (US) 2022-04-28 WO disclosed
EP-3129350-B1 MACROCYCLES LUMIPHORE INC (US) 2021-10-27 EP disclosed
WO-2021195465-A1 TREATMENT OF ACUTE RESPIRATORY DISTRESS SYNDROME AND RELATED CONDITIONS WITH ANTAGONISTS OF E-SELECTIN MAGNANI JOHN L (US) 2021-09-30 WO disclosed
US-20200405887-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2020-12-31 US disclosed
WO-2020132582-A1 STING AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 WO disclosed
US-20200062757-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2020-02-27 US disclosed
US-10434186-B2 Functionalized linear ligands and complexes thereof LUMIPHORE, INC. (US) 2019-10-08 US disclosed
WO-2019173639-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. (US) 2019-09-12 WO disclosed
US-10273256-B2 Macrocycles LUMIPHORE, INC. (US) 2019-04-30 US disclosed
US-10239878-B2 Macrocyclic ligands with pendant chelating moieties and complexes thereof LUMIPHORE, INC. (US) 2019-03-26 US disclosed
US-20180194766-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2018-07-12 US disclosed
WO-2018045385-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. (US) 2018-03-08 WO disclosed
US-20170360956-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF LUMIPHORE, INC. 2017-12-21 US disclosed
US-20170183365-A1 MACROCYCLES LUMIPHORE, INC. 2017-06-29 US disclosed
WO-2016106241-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF LUMIPHORE, INC. (US) 2016-06-30 WO disclosed
WO-2015157057-A1 MACROCYCLES LUMIPHORE, INC (US) 2015-10-15 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 (11 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-20230174679-A1 NITRIC OXIDE-RELEASING ANTIBACTERIAL POLYMERS AND SCAFFOLDS FABRICATED THEREFROM AND METHODS PERTAINING THERETO NOS2, NOS3, NOS1 PAOX 1258/4885GNAI3 2986/4885GNAO1 852/4885
US-20170360956-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF CLTB, CLTA, EPCAM PAOX 1141/4885GNAI3 2827/4885GNAO1 4250/4885
US-20200062757-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 PAOX 2323/4885GNAI3 2745/4885GNAO1 3870/4885
US-11691997-B2 Macrocycles HCCS, ABCB7, AURKAIP1 PAOX 2461/4885GNAI3 2174/4885GNAO1 3573/4885
US-10434186-B2 Functionalized linear ligands and complexes thereof CLTB, CLTA, EPCAM PAOX 1141/4885GNAI3 2827/4885GNAO1 4250/4885
US-20240067650-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 PAOX 2323/4885GNAI3 2745/4885GNAO1 3870/4885
US-20180194766-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 PAOX 2323/4885GNAI3 2745/4885GNAO1 3870/4885
US-10273256-B2 Macrocycles HCCS, ABCB7, AURKAIP1 PAOX 2461/4885GNAI3 2174/4885GNAO1 3573/4885
US-20170183365-A1 MACROCYCLES HCCS, ABCB7, AURKAIP1 PAOX 2461/4885GNAI3 2174/4885GNAO1 3573/4885
US-10239878-B2 Macrocyclic ligands with pendant chelating moieties and complexes thereof TFRC, CLTC, SLC39A3 PAOX 2323/4885GNAI3 2745/4885GNAO1 3870/4885
US-20200405887-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 PAOX 2323/4885GNAI3 2745/4885GNAO1 3870/4885

“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.