SCHEMBL6789695

SCHEMBL6789695

NC(=O)C1OCCOCCOC(C(N)=O)C(C(N)=O)OCCOCCOC1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.33
TTR P02766 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL31196527 0.76 SUCNR1 (0.43) KDM4ETTRSMN1; SMN2
SCHEMBL9514859 0.76 SUCNR1 (0.43) KDM4ETTRSMN1; SMN2
SCHEMBL350769 0.76 SUCNR1 (0.43) KDM4ETTRSMN1; SMN2
SCHEMBL9516478 0.76 SUCNR1 (0.43) KDM4ETTRSMN1; SMN2
SCHEMBL9516583 0.72
SCHEMBL9516453 0.72
SCHEMBL4640334 0.70
SCHEMBL840269 0.70
SCHEMBL28863675 0.70 EPHX1 (0.37) GAA
Dioxane SCHEMBL21066036 0.70 ACHE (0.54) KDM4ETTRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6818778-B2 HYDROLYSIS OF OCTAETHYL(-)-(18-CROWN-6)-2,3,11,12-TETRACARBOXAMIDE OBTAINED BY CONDENSATION OF N,N,N',N'-TETRAALKYL-D-TARTARAMIDE WITH DIHALO- OR DISULFONYLOXY- DIETHYL ETHER RSTECH CO., LTD. (KR) 2004-11-16 US claimed
US-20040044231-A1 Process for preparing (-)-(18-crown-6)-2,3,11,12-tetracarboxylic acid, and (-)-chiral stationary phases for resolution of racemic compounds using the same RSTECH CO., LTD. (KR) 2004-03-04 US claimed
US-6818778-B2 HYDROLYSIS OF OCTAETHYL(-)-(18-CROWN-6)-2,3,11,12-TETRACARBOXAMIDE OBTAINED BY CONDENSATION OF N,N,N',N'-TETRAALKYL-D-TARTARAMIDE WITH DIHALO- OR DISULFONYLOXY- DIETHYL ETHER RSTECH CO., LTD. (KR) 2004-11-16 US disclosed
US-20040044231-A1 Process for preparing (-)-(18-crown-6)-2,3,11,12-tetracarboxylic acid, and (-)-chiral stationary phases for resolution of racemic compounds using the same RSTECH CO., LTD. (KR) 2004-03-04 US 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 (1 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-20040044231-A1 Process for preparing (-)-(18-crown-6)-2,3,11,12-tetracarboxylic acid, and (-)-chiral stationary phases for resolution of racemic compounds using the same CCR6, CCR1, CCR9 KDM4E 3161/4885GAA 3703/4885TTR 991/4885

“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.