SCHEMBL633931

SCHEMBL633931

COC(=O)C1(C)CCc2c(C)c(O)c(C)c(C)c2O1

nearest known ligand 0.72

Predicted protein targets (top 12)

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
CAPN1 P07384 1/20 0.45
BCHE P06276 4/20 0.45
ACHE P22303 4/20 0.45
PSEN1 P49768 6/20 0.45
TTPA P49638 3/20 0.44
NR1I2 O75469 1/20 0.44
ALOX5 P09917 1/20 0.44

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
SCHEMBL2140309 1.00 PTGS1 (0.72) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL29670772 1.00 PTGS1 (0.72) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL6362676 1.00 PTGS1 (0.72) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL22899966 0.90 PTGS1 (0.70) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL15851247 0.90 PTGS1 (0.56) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL31326006 0.87 PTGS1 (0.65) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL30951067 0.86 PTGS1 (0.68) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL2393197 0.86 PTGS1 (0.68) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL21344343 0.86 PTGS1 (0.52) PTGS1PTGS2CYP1A2CYP3A4TSHR
Trolox SCHEMBL7895023 0.86 PTGS1 (0.91) 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 99 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118126011-A Method for chiral resolution of Trolox and Trolox ester compound enantiomer 辽宁大学 2024-06-04 CN claimed
US-7615650-B2 Process for producing chroman compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2009-11-10 US claimed
US-20070179304-A1 Process for producing chroman compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2007-08-02 US claimed
EP-1710239-A1 PROCESS FOR PRODUCING CHROMAN COMPOUND MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-10-11 EP claimed
EP-0445735-A1 Melanogenesis-inhibiting endermic preparation Sansho Seiyaku Co., Ltd. (JP) 1991-09-11 EP claimed
US-20240400529-A1 COMPOSITIONS AND METHODS FOR THE PREVENTION AND/OR TREATMENT OF MITOCHONDRIAL DISEASE, INCLUDING FRIEDREICH'S ATAXIA STEALTH BIOTHERAPEUTICS INC. (US) 2024-12-05 US disclosed
US-20240368098-A1 COMPOSITIONS AND METHODS FOR THE PREVENTION AND/OR TREATMENT OF MITOCHONDRIAL DISEASE, INCLUDING FRIEDREICH'S ATAXIA STEALTH BIOTHERAPEUTICS INC. (US) 2024-11-07 US disclosed
US-20240293339-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE PREVENTION AND/OR TREATMENT OF VARIOUS MITOCHONDRIAL DISEASES OR DISORDERS, INCLUDING FRIEDREICH'S ATAXIA Stealth Bio Therapeutics Inc. (US) 2024-09-05 US disclosed
US-12049455-B2 Compositions and methods for the prevention and/or treatment of mitochondrial disease, including Friedreich's ataxia STEALTH BIOTHERAPEUTICS INC. (US) 2024-07-30 US disclosed
CN-118126011-A Method for chiral resolution of Trolox and Trolox ester compound enantiomer 辽宁大学 2024-06-04 CN disclosed
US-20230330060-A1 COMPOUNDS FOR TREATMENT OF HEART FAILURE SULFATEQ B.V. (NL) 2023-10-19 US disclosed
US-20230330060-A1 COMPOUNDS FOR TREATMENT OF HEART FAILURE SULFATEQ B.V. (NL) 2023-10-19 US disclosed
US-4205001-A Inversion process HOFFMANN-LA ROCHE INC. (US) 1980-05-27 US disclosed
EP-0003221-A2 Process for the manufacture of 3,4-dihydro-benzopyran derivatives and starting materials in this process F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-08-08 EP disclosed
US-4150050-A 3,6-Dioxo-1,4-cyclohexadien-1-yl-butandate esters HOFFMANN-LA ROCHE INC. (US) 1979-04-17 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-3986980-A SYNERGISTIC ANTIOXIDANT COMPOSITION COMPRISING ASCORBIC ACID AND 6-HYDROXY-2,5,7,8-TETRAMETHYLCHROMAN-2- CARBOXYLIC ACID HOFFMANN-LA ROCHE INC. (US) 1976-10-19 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 (6 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-20240293339-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE PREVENTION AND/OR TREATMENT OF VARIOUS MITOCHONDRIAL DISEASES OR DISORDERS, INCLUDING FRIEDREICH'S ATAXIA AIFM2, FH, FECH PTGS1 332/4885PTGS2 455/4885CYP1A2 4395/4885
US-20070179304-A1 Process for producing chroman compound TAF9, TAF1, CHD1 PTGS1 509/4885PTGS2 1158/4885CYP1A2 71/4885
US-20240400529-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
US-12049455-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-20230330060-A1 COMPOUNDS FOR TREATMENT OF HEART FAILURE SQOR, SDHA, NDUFV2 PTGS1 550/4885PTGS2 454/4885CYP1A2 226/4885
US-20240368098-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.