SCHEMBL1785755

SCHEMBL1785755

CC(=O)N1CCN(C(=O)C(C)(C)CCC2=C(C)C(=O)C(C)=C(C)C2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.41
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
CDC25B P30305 1/20 0.39
CYP1A2 P05177 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PIK3CD O00329 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL1187895 0.88 ALOX15 (0.43) ALOX15PTPN2PTPN1CDC25BCYP1A2
SCHEMBL2059299 0.88 ALOX15 (0.43) ALOX15PTPN2PTPN1CDC25BCYP1A2
SCHEMBL2059424 0.88 ALOX15 (0.43) ALOX15PTPN2PTPN1CDC25BCYP1A2
SCHEMBL3665666 0.77 ALOX15 (0.43) ALOX15PTPN2PTPN1CDC25B
SCHEMBL1187666 0.77 ALOX15 (0.43) ALOX15PTPN2PTPN1CDC25BCYP1A2
SCHEMBL1188341 0.75 ALOX15 (0.44) ALOX15PTPN2PTPN1CDC25BALDH1A1
SCHEMBL1188579 0.75 ALOX15 (0.44) ALOX15PTPN2PTPN1CDC25BALDH1A1
SCHEMBL1786550 0.74 AR (0.39) ALOX15CYP1A2TDP1ALDH1A1
SCHEMBL1187917 0.74 ALOX15 (0.43) ALOX15PTPN2PTPN1CDC25BALDH1A1
SCHEMBL22630563 0.74 ALOX15 (0.43) ALOX15PTPN2PTPN1CDC25BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090576-B2 2-substituted-p-quinone derivatives for treatment of oxidative stress diseases EDISON PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-20140329860-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES EDISON PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-8716527-B2 2-substituted-p-quinone derivatives for treatment of oxidative stress diseases EDISON PHARMACEUTICALS, INC. (US) 2014-05-06 US disclosed
US-20110124679-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES PTC THERAPEUTICS, INC. 2011-05-26 US disclosed
EP-2262508-A2 SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES Edison Pharmaceuticals, Inc. (US) 2010-12-22 EP disclosed
WO-2009111576-A2 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES EDISON PHARMACEUTICALS, INC. (US) 2009-09-11 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 (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-20110124679-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES NQO1, TXNRD2, MT-ND2 ALOX15 452/4885PTPN2 3616/4885PTPN1 4024/4885
US-20140329860-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES NQO1, TXNRD2, MT-ND2 ALOX15 452/4885PTPN2 3616/4885PTPN1 4024/4885

“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.