SCHEMBL5080244

SCHEMBL5080244

CC1=C(C)C(=O)C(CCCCCCCCCCBr)=CC1=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.47
PTPN1 P18031 1/20 0.38
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
ALOX5 P09917 4/20 0.35
PTGS2 P35354 4/20 0.35
GLS2 Q9UI32 1/20 0.35
PPARG P37231 1/20 0.32
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL13174362 1.00 STAT3 (0.47) STAT3PTPN1ACHEBACE1ALOX5
SCHEMBL15214280 0.84 PTPN1 (0.54) STAT3PTPN1ACHEBACE1ALOX5
SCHEMBL7053777 0.84 PTPN1 (0.54) STAT3PTPN1ACHEBACE1ALOX5
SCHEMBL18104368 0.82 STAT3 (0.47) STAT3PTPN1ACHEBACE1ALOX5
SCHEMBL20754352 0.78 STAT3 (0.41) STAT3PTPN1ACHEBACE1ALOX5
SCHEMBL17817858 0.76 STAT3 (0.81) STAT3PTPN1ACHEBACE1
SCHEMBL18840113 0.76 PTPN1 (0.43) STAT3PTPN1ACHEBACE1ALOX5
SCHEMBL13174443 0.76 PTPN1 (0.47) STAT3PTPN1ACHEBACE1ALOX5
SCHEMBL17817848 0.75 ALOX5 (0.45) STAT3PTPN1ACHEBACE1ALOX5
Bromide SCHEMBL22265994 0.74 PTPN1 (0.46) STAT3PTPN1ACHEBACE1ALOX5

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160279154-A1 MITOCONDRIALLY-TARGETED TIMOQUINONES AND TOLUQUINONES MITOTECH SA (LU) 2016-09-29 US disclosed
US-20160279154-A1 MITOCONDRIALLY-TARGETED TIMOQUINONES AND TOLUQUINONES MITOTECH SA (LU) 2016-09-29 US disclosed
US-20160279154-A1 MITOCONDRIALLY-TARGETED TIMOQUINONES AND TOLUQUINONES MITOTECH SA (LU) 2016-09-29 US disclosed
US-20160200749-A1 BIOLOGICALLY ACTIVE COMPOUNDS SPECIFICALLY DELIVERED INTO MITOCHONDRIA MITOTECH SA (LU) 2016-07-14 US disclosed
US-20160200749-A1 BIOLOGICALLY ACTIVE COMPOUNDS SPECIFICALLY DELIVERED INTO MITOCHONDRIA MITOTECH SA (LU) 2016-07-14 US disclosed
US-20160200749-A1 BIOLOGICALLY ACTIVE COMPOUNDS SPECIFICALLY DELIVERED INTO MITOCHONDRIA MITOTECH SA (LU) 2016-07-14 US disclosed
EP-3030267-A2 MITOCHONDRIALLY-TARGETED TIMOQUINONES AND TOLUQUINONES Mitotech SA (LU) 2016-06-15 EP disclosed
US-9328130-B2 Method of treating organism by biologically active compounds specifically delivered into mitochondria, pharmaceutical composition required for the use of the method and a compound applicable for this purpose MITOTECH S.A. (LU) 2016-05-03 US disclosed
US-9328130-B2 Method of treating organism by biologically active compounds specifically delivered into mitochondria, pharmaceutical composition required for the use of the method and a compound applicable for this purpose MITOTECH S.A. (LU) 2016-05-03 US disclosed
US-9328130-B2 Method of treating organism by biologically active compounds specifically delivered into mitochondria, pharmaceutical composition required for the use of the method and a compound applicable for this purpose MITOTECH S.A. (LU) 2016-05-03 US disclosed
US-20080176929-A1 driven by proton electro-chemical potential; reduction of concentration of free radicals and reactive oxygen species in living cell; antiproliferative, antiinflammatory agent, antioxidant, disinfectant; wound healing, grafting; composition of antioxidant, linker, and charged lipophilic compound/peptide MITOTECHNOLOGY LLC. (RU) 2008-07-24 US disclosed
US-20080176929-A1 driven by proton electro-chemical potential; reduction of concentration of free radicals and reactive oxygen species in living cell; antiproliferative, antiinflammatory agent, antioxidant, disinfectant; wound healing, grafting; composition of antioxidant, linker, and charged lipophilic compound/peptide MITOTECHNOLOGY LLC. (RU) 2008-07-24 US disclosed
US-20080176929-A1 driven by proton electro-chemical potential; reduction of concentration of free radicals and reactive oxygen species in living cell; antiproliferative, antiinflammatory agent, antioxidant, disinfectant; wound healing, grafting; composition of antioxidant, linker, and charged lipophilic compound/peptide MITOTECHNOLOGY LLC. (RU) 2008-07-24 US disclosed
EP-1937277-A1 METHOD OF ACTING UPON ORGANISM BY TARGETED DELIVERY OF BIOLOGICALY ACTIVE SUBSTANCES INTO M ITOCHONDRIA, PHARMACEUTICAL COMPOSITION FOR CARRYING OUT SAID METHOD, AND COMPOUND USED FOR THE PURPOSE Limited Liability Company "Mitotechnology" (RU) 2008-07-02 EP disclosed
WO-2007046729-A1 METHOD OF ACTING UPON ORGANISM BY TARGETED DELIVERY OF BIOLOGICALY ACTIVE SUBSTANCES INTO M ITOCHONDRIA, PHARMACEUTICAL COMPOSITION FOR CARRYING OUT SAID METHOD, AND COMPOUND USED FOR THE PURPOSE LIMITED LIABILITY COMPANY 'MITOTECHNOLOGY' (RU) 2007-04-26 WO disclosed
WO-2007046729-A1 METHOD OF ACTING UPON ORGANISM BY TARGETED DELIVERY OF BIOLOGICALY ACTIVE SUBSTANCES INTO M ITOCHONDRIA, PHARMACEUTICAL COMPOSITION FOR CARRYING OUT SAID METHOD, AND COMPOUND USED FOR THE PURPOSE LIMITED LIABILITY COMPANY 'MITOTECHNOLOGY' (RU) 2007-04-26 WO 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-20160200749-A1 BIOLOGICALLY ACTIVE COMPOUNDS SPECIFICALLY DELIVERED INTO MITOCHONDRIA TFAM, MT-ND2, NDUFAB1 STAT3 579/4885PTPN1 4385/4885ACHE 3510/4885
US-20080176929-A1 driven by proton electro-chemical potential; reduction of concentration of free radicals and reactive oxygen species in living cell; antiproliferative, antiinflammatory agent, antioxidant, disinfectant; wound healing, grafting; composition of antioxidant, linker, and charged lipophilic compound/peptide PRDX5, PDF, MCU STAT3 178/4885PTPN1 4244/4885ACHE 3733/4885
US-20160279154-A1 MITOCONDRIALLY-TARGETED TIMOQUINONES AND TOLUQUINONES MT-ND2, MT-ND5, MT-ND1 STAT3 1757/4885PTPN1 3818/4885ACHE 1683/4885

“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.