SCHEMBL8311353

SCHEMBL8311353

Cc1c(C)c2c(c(C)c1O)CC(C)(C(=O)O)O2

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.72
PTGS2 P35354 1/20 0.72
CYP1A2 P05177 1/20 0.72
CYP3A4 P08684 1/20 0.72
TSHR P16473 1/20 0.72
PSEN1 P49768 4/20 0.40
ALOX5 P09917 3/20 0.40
NR1I2 O75469 1/20 0.40
BCHE P06276 4/20 0.37
ACHE P22303 4/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
GSTP1 P09211 1/20 0.36
TTPA P49638 1/20 0.36
KMT2A Q03164 1/20 0.36
USP2 O75604 1/20 0.36
THRB P10828 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL23618121 1.00 PTGS1 (0.72) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL23618111 1.00 PTGS1 (0.72) PTGS1PTGS2CYP1A2CYP3A4TSHR
Trolox SCHEMBL4647438 0.84 PTGS1 (1.00) PTGS1PTGS2CYP1A2CYP3A4TSHR
(R)-Trolox SCHEMBL615168 0.84 PTGS1 (1.00) PTGS1PTGS2CYP1A2CYP3A4TSHR
Trolox SCHEMBL29375939 0.84 PTGS1 (1.00) PTGS1PTGS2CYP1A2CYP3A4TSHR
Trolox SCHEMBL1927837 0.84 PTGS1 (1.00) PTGS1PTGS2CYP1A2CYP3A4TSHR
Trolox SCHEMBL3226 0.84 PTGS1 (1.00) PTGS1PTGS2CYP1A2CYP3A4TSHR
Trolox SCHEMBL29653919 0.84 PTGS1 (1.00) PTGS1PTGS2CYP1A2CYP3A4TSHR
Trolox SCHEMBL1651402 0.84 PTGS1 (1.00) PTGS1PTGS2CYP1A2CYP3A4TSHR
Trolox SCHEMBL31326005 0.83 PTGS1 (0.67) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0903346-A1 SYDNONE IMINE DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 1999-03-24 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-11584728-B2 Compositions and methods for the prevention and/or treatment of mitochondrial disease, including Friedreich's ataxia FH, COQ8A, TFAM PTGS1 682/4885PTGS2 1030/4885CYP1A2 2185/4885
US-20210206736-A1 COMPOSITIONS AND METHODS FOR THE PREVENTION AND/OR TREATMENT OF MITOCHONDRIAL DISEASE, INCLUDING FRIEDREICH'S ATAXIA FH, COQ8A, TFAM PTGS1 682/4885PTGS2 1030/4885CYP1A2 2185/4885

“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.