SCHEMBL23618084

SCHEMBL23618084

Cc1c(C)c2c(c(C)c1OCc1ccccc1)CCC(C)(C(=O)OC(=O)C13CC4CC(CC(C4)C1)C3)O2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 10/20 0.46
EPHX2 P34913 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
TTPA P49638 3/20 0.38
ALOX5 P09917 1/20 0.38
FAAH O00519 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL2140140 0.83 PSEN1 (0.53) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL11701054 0.83 PSEN1 (0.56) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL2140130 0.83 PSEN1 (0.53) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL4592776 0.82 PSEN1 (0.65) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL6597291 0.82 PSEN1 (0.65) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL7843126 0.75 PSEN1 (0.44) PSEN1ALOX5
SCHEMBL11440558 0.75 PSEN1 (0.44) PSEN1ALOX5
SCHEMBL29670864 0.75 PSEN1 (0.44) PSEN1ALOX5
SCHEMBL11440561 0.75 PSEN1 (0.44) PSEN1ALOX5
SCHEMBL10546031 0.75 PSEN1 (0.45) PSEN1ALOX5

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-20230303506-A1 COMPOSITIONS AND METHODS FOR THE PREVENTION AND/OR TREATMENT OF MITOCHONDRIAL DISEASE, INCLUDING FRIEDREICH'S ATAXIA STEALTH BIOTHERAPEUTICS INC. (US) 2023-09-28 US disclosed
US-11584728-B2 Compositions and methods for the prevention and/or treatment of mitochondrial disease, including Friedreich's ataxia STEALTH BIOTHERAPEUTICS INC. (US) 2023-02-21 US disclosed
US-20210206736-A1 COMPOSITIONS AND METHODS FOR THE PREVENTION AND/OR TREATMENT OF MITOCHONDRIAL DISEASE, INCLUDING FRIEDREICH'S ATAXIA STEALTH BIOTHERAPEUTICS INC. 2021-07-08 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 (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-20230303506-A1 COMPOSITIONS AND METHODS FOR THE PREVENTION AND/OR TREATMENT OF MITOCHONDRIAL DISEASE, INCLUDING FRIEDREICH'S ATAXIA FH, COQ8A, TFAM PSEN1 285/4885EPHX2 2938/4885PTGS1 682/4885
US-11584728-B2 Compositions and methods for the prevention and/or treatment of mitochondrial disease, including Friedreich's ataxia FH, COQ8A, TFAM PSEN1 285/4885EPHX2 2938/4885PTGS1 682/4885
US-20210206736-A1 COMPOSITIONS AND METHODS FOR THE PREVENTION AND/OR TREATMENT OF MITOCHONDRIAL DISEASE, INCLUDING FRIEDREICH'S ATAXIA FH, COQ8A, TFAM PSEN1 285/4885EPHX2 2938/4885PTGS1 682/4885

“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.