SCHEMBL29880441

SCHEMBL29880441

COC(=O)OCCNCCCNC(=O)Oc1c2ccccc2c(O)c2cc(C(C)=O)oc12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NCEH1 Q6PIU2 1/20 0.32
▸ MTNR1B P49286 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ MTNR1A P48039 1/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ ACHE P22303 2/20 0.30
▸ EPHX2 P34913 1/20 0.30

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
SCHEMBL22536819 1.00 NCEH1 (0.32) NCEH1MTNR1BKDM4EMAPTRECQL
SCHEMBL22536820 0.94 NCEH1 (0.35) NCEH1MTNR1BKDM4EMAPTRECQL
SCHEMBL29880244 0.91 NCEH1 (0.32) NCEH1KDM4EMAPTRECQLKMT2A
SCHEMBL22536818 0.91 NCEH1 (0.32) NCEH1KDM4EMAPTRECQLKMT2A
SCHEMBL22536817 0.89 NCEH1 (0.34) NCEH1KDM4EMAPTRECQLKMT2A
SCHEMBL29880050 0.89 NCEH1 (0.34) NCEH1KDM4EMAPTRECQLKMT2A
SCHEMBL22536804 0.88 PDE4A (0.33) NCEH1MTNR1BKDM4EMAPTRECQL
SCHEMBL29880175 0.85 SLC2A1 (0.34) NCEH1KDM4EMAPTRECQLKMT2A
SCHEMBL22536823 0.85 SLC2A1 (0.34) NCEH1KDM4EMAPTRECQLKMT2A
SCHEMBL22536802 0.84 NCEH1 (0.35) NCEH1KDM4EMAPTRECQLKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220304972-A1 COMBINATION THERAPY AND BIOMARKER INDICATING EFFICACY THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-09-29 — — US disclosed
US-11414394-B2 Process for producing a hydrate of a hydrochloride salt of 2,2′-((((((2-acetylnaphtho[2,3-b]furan-4,9-diyl)bis(oxy))bis(carbonyl))bis(azanediyl))bis(ethane-2,1-diyl))bis(azanediyl))diacetic acid SUMITOMO PHARMA ONCOLOGY, INC. (US) 2022-08-16 — — 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 (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-11414394-B2 Process for producing a hydrate of a hydrochloride salt of 2,2′-((((((2-acetylnaphtho[2,3-b]furan-4,9-diyl)bis(oxy))bis(carbonyl))bis(azanediyl))bis(ethane-2,1-diyl))bis(azanediyl))diacetic acid ADH1A, ADH1C, DACH1 NCEH1 1312/4885MTNR1B 3320/4885KDM4E 3573/4885
US-20220304972-A1 COMBINATION THERAPY AND BIOMARKER INDICATING EFFICACY THEREOF MSH2, PMS2, MSH6 NCEH1 2379/4885MTNR1B 380/4885KDM4E 3429/4885

“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.

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