SCHEMBL9253558

SCHEMBL9253558

CC1(C(=O)O)CCc2cc(O)c(C(C)(C)C)cc2O1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.44
PPARG P37231 10/20 0.40
PPARD Q03181 5/20 0.40
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
CYP1A2 P05177 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
ATP2A2 P16615 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ATP2A3 Q93084 1/20 0.37

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
SCHEMBL9653472 0.88 BCHE (0.40) PPARAPPARGPPARDCYSLTR2CYSLTR1
SCHEMBL8543296 0.83 BCHE (0.38) PPARACYP1A2CYP3A4KDM4EALDH1A1
SCHEMBL9313651 0.82 LMNA (0.45) PPARACYP1A2PTGS1PTGS2TSHR
SCHEMBL1151712 0.81 ALOX15 (0.42) CYP1A2CYP3A4TSHRKDM4EALDH1A1
SCHEMBL8419439 0.81 PPARA (0.45) PPARAPPARGPPARDCYSLTR2CYSLTR1
SCHEMBL11703740 0.80 ALOX15 (0.41) CYP1A2CYP3A4TSHRKDM4EALDH1A1
SCHEMBL9247063 0.78 NFKB1 (0.36) PPARAPTGS1PTGS2ALDH1A1
SCHEMBL4462820 0.77 ALOX15 (0.41) CYP1A2CYP3A4TSHRKDM4EALDH1A1
SCHEMBL11705197 0.77 BCHE (0.41) CYP1A2CYP3A4TSHRKDM4EALDH1A1
SCHEMBL11346965 0.76 ALOX15 (0.37) CYP1A2CYP3A4KDM4EALDH1A1MAPT

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 9 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
US-5395834-A Antiarthritic agents or cardiovascular disorders ADIR ET COMPAGNIE (FR) 1995-03-07 US disclosed
US-5393775-A Administering a (2-chromanyl)alkylcarboxylic acid for disorders connected with peroxidation processes ADIR ET COMPAGNIE (FR) 1995-02-28 US disclosed
US-5315017-A Peroxidation and eicosanoid biosynthesis inhibition ADIR ET COMPAGNIE (FR) 1994-05-24 US disclosed
US-4026907-A INTERMEDIATES FOR ALPHA-TOCOPHEROL HOFFMANN-LA ROCHE INC. (US) 1977-05-31 US disclosed
US-4018799-A INTERMEDIATES FOR TOCOPHEROL HOFFMANN-LA ROCHE INC. (US) 1977-04-19 US disclosed
US-4003919-A INTERMEDIATES FOR ALPHA-TOCOPHEROL HOFFMANN-LA ROCHE INC. (US) 1977-01-18 US disclosed
US-3947473-A (6-HYDROXY-CHROMAN-2-YL) CARBOXYLIC ACID DERIVATIVES HOFFMAN-LA ROCHE INC. (US) 1976-03-30 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 (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 PPARA 967/4885PPARG 454/4885PPARD 1081/4885
US-20210206736-A1 COMPOSITIONS AND METHODS FOR THE PREVENTION AND/OR TREATMENT OF MITOCHONDRIAL DISEASE, INCLUDING FRIEDREICH'S ATAXIA FH, COQ8A, TFAM PPARA 967/4885PPARG 454/4885PPARD 1081/4885

“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.