SCHEMBL23748469

SCHEMBL23748469

CC(C)(CO)CC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
DGAT1 O75907 1/20 0.33
CYP2D6 P10635 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA14 Q9ULX7 1/20 0.32
NR1H2 P55055 1/20 0.31

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
SCHEMBL16579840 0.86 TDP1 (0.30) TDP1
SCHEMBL11668547 0.84
SCHEMBL25842821 0.82 TDP1 (0.36) TDP1DGAT1CYP2D6HDAC3HDAC1
SCHEMBL16744314 0.81 DGAT1 (0.33) TDP1DGAT1CYP2D6HDAC3HDAC1
SCHEMBL1951896 0.79 KDM4E (0.52) DGAT1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL5856578 0.79 TDP1 (0.46) TDP1DGAT1CYP2D6
SCHEMBL16313462 0.79 CYP2D6 (0.33) DGAT1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL20069102 0.79 CYP2D6 (0.33) DGAT1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL7256439 0.78 TSHR (0.43) CA12CA2CA14
SCHEMBL1540854 0.77 TDP1 (0.32) TDP1DGAT1CYP2D6HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630533-B2 Heterocyclic compounds useful as KCNT1 inhibitors ACTIO BIOSCIENCES, INC. (US) 2026-05-19 US disclosed
US-20250313548-A1 HETEROCYCLIC COMPOUNDS USEFUL AS KCNT1 INHIBITORS ACTIO BIOSCIENCES, INC. 2025-10-09 US disclosed
CN-116283647-A Prodrug modulators that integrate stress pathways 卡里科生命科学有限责任公司 2023-06-23 CN disclosed
CN-113423685-B Prodrug modulators of integrated stress pathways 卡里科生命科学有限责任公司 2022-11-29 CN disclosed
CN-113423685-A Prodrug modulators of integrated stress pathways 卡里科生命科学有限责任公司 2021-09-21 CN disclosed
EP-3864003-A1 PRODRUG MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2021-08-18 EP 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-20250313548-A1 HETEROCYCLIC COMPOUNDS USEFUL AS KCNT1 INHIBITORS KCNT1, KCNT2, KCNN3 TDP1 3206/4885DGAT1 251/4885CYP2D6 758/4885
US-12630533-B2 Heterocyclic compounds useful as KCNT1 inhibitors KCNT1, KCNT2, KCNJ2 TDP1 4595/4885DGAT1 252/4885CYP2D6 407/4885

“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.