SCHEMBL2059491

SCHEMBL2059491

Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCc1ccccc1)O2

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.62
PTGS2 P35354 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
TSHR P16473 1/20 0.62
ACHE P22303 16/20 0.61
BCHE P06276 15/20 0.61
ALOX5 P09917 1/20 0.57
MAOB P27338 1/20 0.54

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
SCHEMBL15819997 0.90 PTGS1 (0.57) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL2058864 0.90 PTGS1 (0.60) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9690224 0.88 ACHE (0.61) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9690289 0.87 ACHE (0.63) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9312898 0.84 PTGS1 (0.56) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9312837 0.84 PTGS1 (0.55) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL7834529 0.83 PTGS1 (0.57) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL30463821 0.82 PTGS1 (0.66) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9253766 0.82 PTGS1 (0.66) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9313643 0.82 PTGS1 (0.66) 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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210128523-A1 MEDICAMENTS FOR THE TREATMENT OF VASOCONSTRICTION RELATED DISEASES OR DISORDERS SULFATEQ B.V. (NL) 2021-05-06 US claimed
US-20200206235-A1 6-CHROMANOL DERIVATIVES FOR USE AS A MEDICAMENT SULFATEQ B.V. (NL) 2020-07-02 US claimed
EP-3672593-A1 MEDICAMENTS FOR THE TREATMENT OF VASOCONSTRICTION RELATED DISEASES OR DISORDERS Sulfateq B.V. (NL) 2020-07-01 EP claimed
EP-3672592-A1 6-CHROMANOL DERIVATIVES FOR USE AS A MEDICAMENT Sulfateq B.V. (NL) 2020-07-01 EP claimed
WO-2019038360-A1 6-CHROMANOL DERIVATIVES FOR USE AS A MEDICAMENT SULFATEQ B.V. (NL) 2019-02-28 WO claimed
WO-2019038361-A1 MEDICAMENTS FOR THE TREATMENT OF VASOCONSTRICTION RELATED DISEASES OR DISORDERS SULFATEQ B.V. (NL) 2019-02-28 WO claimed
US-12156862-B2 Medicaments for the treatment of vasoconstriction related diseases or disorders SULFATEQ B.V. (NL) 2024-12-03 US disclosed
US-12156862-B2 Medicaments for the treatment of vasoconstriction related diseases or disorders SULFATEQ B.V. (NL) 2024-12-03 US disclosed
EP-3733642-B1 4-(P-QUINONYL)-2-HYDROXYBUTANAMIDE DERIVATIVES FOR TREATMENT OF MITOCHONDRIAL DISEASES PTC THERAPEUTICS INC (US) 2024-05-08 EP disclosed
US-11840497-B2 4-(p-quinonyl)-2-hydroxybutanamide derivatives for treatment of mitochondrial diseases PTC THERAPEUTICS, INC. (US) 2023-12-12 US disclosed
US-11730741-B2 6-chromanol derivatives for use as a medicament SULFATEQ B.V. (NL) 2023-08-22 US disclosed
US-11730741-B2 6-chromanol derivatives for use as a medicament SULFATEQ B.V. (NL) 2023-08-22 US disclosed
US-20230202997-A1 CHROMANOL, QUINONE OR HYDROQUINONE COMPOUNDS FOR TREATMENT OF SEPSIS SULFATEQ B.V. (NL) 2023-06-29 US disclosed
EP-2220030-B1 4- (P-QUINONYL)-2-HYDROXYBUTANAMIDE DERIVATIVES FOR TREATMENT OF MITOCHONDRIAL DISEASES EDISON PHARMACEUTICALS INC (US) 2016-01-13 EP disclosed
US-9169196-B2 4-(p-quinonyl)-2-hydroxybutanamide derivatives for treatment of mitochondrial diseases EDISON PHARMACEUTICALS, INC. (US) 2015-10-27 US disclosed
US-20130289034-A1 4-(p-QUINONYL)-2-HYDROXYBUTANAMIDE DERIVATIVES FOR TREATMENT OF MITOCHONDRIAL DISEASES PTC THERAPEUTICS, INC. 2013-10-31 US disclosed
US-8519001-B2 4-(p-quinonyl)-2-hydroxybutanamide derivatives for treatment of mitochondrial diseases EDISON PHARMACEUTICALS, INC. (US) 2013-08-27 US disclosed
US-20120122934-A1 4-(p-QUINONYL)-2-HYDROXYBUTANAMIDE DERIVATIVES FOR TREATMENT OF MITOCHONDRIAL DISEASES PTC THERAPEUTICS, INC. 2012-05-17 US disclosed
US-7968746-B2 4-(p-quinonyl)-2-hydroxybutanamide derivatives for treatment of mitochondrial diseases EDISON PHARMACEUTICALS, INC. (US) 2011-06-28 US disclosed
US-20090118257-A1 4-(p-QUINONYL)-2-HYDROXYBUTANAMIDE DERIVATIVES FOR TREATMENT OF MITOCHONDRIAL DISEASES PTC THERAPEUTICS, INC. 2009-05-07 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 (5 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-20130289034-A1 4-(p-QUINONYL)-2-HYDROXYBUTANAMIDE DERIVATIVES FOR TREATMENT OF MITOCHONDRIAL DISEASES FH, NLN, ACAA2 PTGS1 2770/4885PTGS2 2594/4885CYP1A2 3899/4885
US-11840497-B2 4-(p-quinonyl)-2-hydroxybutanamide derivatives for treatment of mitochondrial diseases FH, NLN, ACAA2 PTGS1 2770/4885PTGS2 2594/4885CYP1A2 3899/4885
US-20120122934-A1 4-(p-QUINONYL)-2-HYDROXYBUTANAMIDE DERIVATIVES FOR TREATMENT OF MITOCHONDRIAL DISEASES FH, NLN, ACAA2 PTGS1 2770/4885PTGS2 2594/4885CYP1A2 3899/4885
US-20090118257-A1 4-(p-QUINONYL)-2-HYDROXYBUTANAMIDE DERIVATIVES FOR TREATMENT OF MITOCHONDRIAL DISEASES FH, NLN, ACAA2 PTGS1 2770/4885PTGS2 2594/4885CYP1A2 3899/4885
US-20230202997-A1 CHROMANOL, QUINONE OR HYDROQUINONE COMPOUNDS FOR TREATMENT OF SEPSIS SQOR, SQLE, CYP11B2 PTGS1 288/4885PTGS2 276/4885CYP1A2 43/4885

“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.