SCHEMBL24397537

SCHEMBL24397537

NCCNC(=O)CC1CCC(=O)C(=O)C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.35
▸ POLB P06746 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ KEAP1 Q14145 1/20 0.31
▸ NFE2L2 Q16236 1/20 0.31
▸ RAB9A P51151 3/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ AAK1 Q2M2I8 1/20 0.31
▸ ITGB1 P05556 1/20 0.30
▸ ITGA5 P08648 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL24397610 0.85 ENO1 (0.35) EPHX2SMN1; SMN2
SCHEMBL24411661 0.81 POLB (0.33) EPHX2POLBALDH1A1MAPTTDP1
SCHEMBL24411659 0.77 ALDH1A1 (0.35) POLBALDH1A1MAPTTDP1
SCHEMBL24397614 0.74 ALDH1A1 (0.38) POLBALDH1A1MAPTTDP1
SCHEMBL24411634 0.73 ALDH1A1 (0.33) POLBALDH1A1MAPTTDP1
SCHEMBL24397600 0.72 ALDH1A1 (0.56) POLBALDH1A1MAPTTDP1ITGB1
SCHEMBL24397611 0.72 CRBN (0.36) —
SCHEMBL24397584 0.68 ENO1 (0.36) EPHX2POLBKEAP1NFE2L2RAB9A
SCHEMBL12954012 0.67 KEAP1 (0.46) EPHX2TDP1KEAP1NFE2L2
SCHEMBL9795057 0.66 EPHX2 (0.33) EPHX2KEAP1NFE2L2

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 EPHX2 512/4885POLB 2499/4885ALDH1A1 1150/4885
US-20230295222-A1 Conjugation Reagents and Methods Using 1,2-Cyclohexanediones TNNI3, CHD1, TNNT2 EPHX2 512/4885POLB 2499/4885ALDH1A1 1150/4885
US-11639366-B2 Conjugation reagents and methods using 1,2-cyclohexanediones TNNI3, CHD1, TNNT2 EPHX2 512/4885POLB 2499/4885ALDH1A1 1150/4885

“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.

Send feedback