SCHEMBL7453293

SCHEMBL7453293

Cc1cc(C)c2c(c1C)OC(C)(C(N)=O)CC2

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
PSEN1 P49768 8/20 0.40
TTPA P49638 2/20 0.33
BCHE P06276 4/20 0.33
ACHE P22303 4/20 0.33
ALOX5 P09917 2/20 0.33
SIRT1 Q96EB6 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
SCHEMBL2597432 0.87 PTGS1 (0.62) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL23961349 0.87 PTGS1 (0.48) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL20819462 0.83 PTGS1 (0.45) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL10071787 0.83 PTGS1 (0.45) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL15150900 0.81 PSEN1 (0.47) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL837194 0.79 HPGD (0.37) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL5460830 0.78 PTGS1 (0.36) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL29242853 0.78 PSEN1 (0.53) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL14938837 0.78 PTGS1 (0.76) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL2059274 0.78 PTGS1 (0.76) PTGS1PTGS2CYP1A2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3733642-B1 4-(P-QUINONYL)-2-HYDROXYBUTANAMIDE DERIVATIVES FOR TREATMENT OF MITOCHONDRIAL DISEASES PTC THERAPEUTICS INC (US) 2024-05-08 EP disclosed
US-20210227822-A1 COMPOUNDS FOR PROTECTION OF CELLS SULFATEQ B.V. (NL) 2021-07-29 US disclosed
EP-1233962-A2 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE AS MEDICINES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-08-28 EP disclosed
WO-2001032654-A2 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE AS MEDICINES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-05-10 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-20210227822-A1 COMPOUNDS FOR PROTECTION OF CELLS CASP10, BAX, CASP9 PTGS1 1184/4885PTGS2 1395/4885CYP1A2 3066/4885

“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.