SCHEMBL24397583

SCHEMBL24397583

[N-]=[N+]=NCCOCCOCCOCCNC(=O)CC1CCC(=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 3/20 0.38
▸ KEAP1 Q14145 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ EPHX2 P34913 1/20 0.32
▸ TTR P02766 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
SCHEMBL24397611 0.87 CRBN (0.36) CRBNTTR
SCHEMBL24397609 0.86 CRBN (0.38) CRBNKEAP1NFE2L2EPHX2TTR
SCHEMBL24397584 0.81 ENO1 (0.36) KEAP1NFE2L2EPHX2
SCHEMBL17282361 0.75 CRBN (0.41) CRBNTTR
SCHEMBL18886281 0.75 CRBN (0.41) CRBNTTR
SCHEMBL19164024 0.75 CRBN (0.38) CRBNTTR
SCHEMBL18886307 0.74 CRBN (0.38) CRBNTTR
SCHEMBL13695971 0.74 CRBN (0.38) CRBNTTR
SCHEMBL14922169 0.74 CRBN (0.38) CRBNTTR
SCHEMBL23234313 0.74 CRBN (0.38) CRBNTTR

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 5 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-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 CRBN 995/4885KEAP1 1967/4885NFE2L2 4206/4885
US-20230295222-A1 Conjugation Reagents and Methods Using 1,2-Cyclohexanediones TNNI3, CHD1, TNNT2 CRBN 995/4885KEAP1 1967/4885NFE2L2 4206/4885
US-11639366-B2 Conjugation reagents and methods using 1,2-cyclohexanediones TNNI3, CHD1, TNNT2 CRBN 995/4885KEAP1 1967/4885NFE2L2 4206/4885

“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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