SCHEMBL24397584

SCHEMBL24397584

NCCOCCOCCOCCNC(=O)CC1CCC(=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENO1 P06733 1/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ CA2 P00918 5/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ KIF11 P52732 1/20 0.33
▸ CA12 O43570 4/20 0.33
▸ CA1 P00915 4/20 0.33
▸ CA4 P22748 4/20 0.33
▸ CA9 Q16790 4/20 0.33
▸ CA14 Q9ULX7 4/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ BRD2 P25440 1/20 0.33
▸ BRD3 Q15059 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ KEAP1 Q14145 1/20 0.32
▸ NFE2L2 Q16236 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
SCHEMBL24397610 0.85 ENO1 (0.35) ENO1EPHX2CA2HRH3JAK2
SCHEMBL24397583 0.81 CRBN (0.38) EPHX2KEAP1NFE2L2
SCHEMBL19172671 0.71 CA2 (0.49) CA2CA12CA1CA4CA9
SCHEMBL24146116 0.71 EPHX2 (0.48) EPHX2SMN1; SMN2KEAP1NFE2L2RAB9A
SCHEMBL25567742 0.71 EPHX2 (0.48) EPHX2SMN1; SMN2KEAP1NFE2L2RAB9A
SCHEMBL26271467 0.70 EPHX2 (0.39) EPHX2POLB
SCHEMBL21415394 0.70 CA2 (0.44) CA2CA12CA1CA4CA9
SCHEMBL22368126 0.70 MEN1 (0.41) ENO1CA2HRH3CA12CA1
SCHEMBL20904578 0.70 CA2 (0.44) CA2CA12CA1CA4CA9
SCHEMBL20017289 0.70 MEN1 (0.41) ENO1CA2CA12CA1CA4

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-20230295222-A1 Conjugation Reagents and Methods Using 1,2-Cyclohexanediones Encodia, Inc. (US) 2023-09-21 — — US disclosed
US-11639366-B2 Conjugation reagents and methods using 1,2-cyclohexanediones Encodia, Inc. (US) 2023-05-02 — — US disclosed
US-20220144885-A1 CONJUGATION REAGENTS AND METHODS USING 1,2-CYCLOHEXANEDIONES Encodia, Inc. (US) 2022-05-12 — — US disclosed
WO-2022094148-A1 CONJUGATION REAGENTS AND METHODS USING 1,2-CYCLOHEXANEDIONES Encodia, Inc. (US) 2022-05-05 — — 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 (3 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-20220144885-A1 CONJUGATION REAGENTS AND METHODS USING 1,2-CYCLOHEXANEDIONES TNNI3, CHD1, TNNT2 ENO1 1838/4885EPHX2 512/4885CA2 2114/4885
US-20230295222-A1 Conjugation Reagents and Methods Using 1,2-Cyclohexanediones TNNI3, CHD1, TNNT2 ENO1 1838/4885EPHX2 512/4885CA2 2114/4885
US-11639366-B2 Conjugation reagents and methods using 1,2-cyclohexanediones TNNI3, CHD1, TNNT2 ENO1 1838/4885EPHX2 512/4885CA2 2114/4885

“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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