SCHEMBL23823400

SCHEMBL23823400

COC(=O)/C=C/C(=O)C(=O)N1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 2/20 0.45
▸ KEAP1 Q14145 1/20 0.45
▸ NFE2L2 Q16236 1/20 0.45
▸ CA2 P00918 2/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ HTT P42858 3/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CHKA P35790 1/20 0.36
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ CHRNB3 Q05901 1/20 0.35
▸ CHRNA6 Q15825 1/20 0.35
▸ GPX4 P36969 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TPSAB1 Q15661 1/20 0.33

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
SCHEMBL23823914 0.82 HCAR2 (0.48) HCAR2KEAP1NFE2L2ALDH1A1HTT
SCHEMBL2190798 0.82 ALDH1A1 (0.53) HCAR2KEAP1NFE2L2CA2CA12
SCHEMBL2190802 0.82 ALDH1A1 (0.53) HCAR2KEAP1NFE2L2CA2CA12
SCHEMBL23823410 0.79 HCAR2 (0.45) HCAR2KEAP1NFE2L2ALDH1A1HTT
SCHEMBL27690911 0.79 HCAR2 (0.45) HCAR2KEAP1NFE2L2CA2CA12
SCHEMBL2609701 0.76 TPSAB1 (0.46) HCAR2KEAP1NFE2L2ALDH1A1MAPT
SCHEMBL23823741 0.74 USP2 (0.45) HCAR2KEAP1NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL17427968 0.74 CA2 (0.45) CA2CA12CA1CA9CHKA
SCHEMBL7916953 0.73 NFE2L2 (0.44) HCAR2KEAP1NFE2L2CA2CA12
Monomethyl Fumarate SCHEMBL15826623 0.71 HCAR2 (0.57) HCAR2KEAP1NFE2L2ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230139593-A1 TREATMENT OF DISORDERS ASSOCIATED WITH OXIDATIVE STRESS AND COMPOUNDS FOR SAME BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2023-05-04 — — US disclosed
US-20230139593-A1 TREATMENT OF DISORDERS ASSOCIATED WITH OXIDATIVE STRESS AND COMPOUNDS FOR SAME BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2023-05-04 — — US disclosed
WO-2021179049-A1 TREATMENT OF DISORDERS ASSOCIATED WITH OXIDATIVE STRESS AND COMPOUNDS FOR SAME THE UNIVERSITY OF ADELAIDE (AU) 2021-09-16 — — 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 (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-20230139593-A1 TREATMENT OF DISORDERS ASSOCIATED WITH OXIDATIVE STRESS AND COMPOUNDS FOR SAME GPX4, TXNRD2, TXN2 HCAR2 1367/4885KEAP1 87/4885NFE2L2 34/4885

“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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