SCHEMBL31730316

SCHEMBL31730316

CC(C)(C)c1ccc(OCC(=O)NCC(=O)NC2CCCc3ccccc32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 13/20 1.00
TAOK3 Q9H2K8 9/20 1.00
ALDH1A1 P00352 3/20 0.61
LMNA P02545 2/20 0.61
HPGD P15428 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.56
GAA P10253 1/20 0.56
HTT P42858 1/20 0.56

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
SCHEMBL5223796 0.87 TAOK1 (1.00) TAOK1TAOK3ALDH1A1LMNAHPGD
SCHEMBL14422172 0.87 TAOK3 (1.00) TAOK1TAOK3ALDH1A1LMNAHPGD
SCHEMBL31730310 0.87 TAOK3 (1.00) TAOK1TAOK3ALDH1A1LMNAHPGD
SCHEMBL31458362 0.87 TAOK1 (1.00) TAOK1TAOK3ALDH1A1LMNAHPGD
SCHEMBL14422171 0.86 TAOK1 (1.00) TAOK1TAOK3ALDH1A1LMNAHPGD
SCHEMBL31458377 0.86 TAOK1 (1.00) TAOK1TAOK3ALDH1A1LMNAHPGD
SCHEMBL31458158 0.85 TAOK1 (1.00) TAOK1TAOK3ALDH1A1LMNAHPGD
SCHEMBL5286330 0.85 TAOK1 (1.00) TAOK1TAOK3ALDH1A1LMNAHPGD
SCHEMBL14422169 0.82 TAOK1 (1.00) TAOK1TAOK3ALDH1A1LMNAHPGD
SCHEMBL31458364 0.82 TAOK1 (1.00) TAOK1TAOK3ALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250354151-A1 INHIBITORY AGENT FOR MYOCARDIAL CELL DEATH, AND PROPHYLACTIC OR THERAPEUTIC AGENT FOR MYOCARDIAL DISORDERS OR HEART FAILURE KYOTO PREFECTURAL PUBLIC UNIV CORP (JP) 2025-11-20 US 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-20250354151-A1 INHIBITORY AGENT FOR MYOCARDIAL CELL DEATH, AND PROPHYLACTIC OR THERAPEUTIC AGENT FOR MYOCARDIAL DISORDERS OR HEART FAILURE TNNI3, TNNC1, TNNT2 TAOK1 7/4885TAOK3 16/4885ALDH1A1 3769/4885

“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.