SCHEMBL1785284

SCHEMBL1785284

CC1=C(C)C(=O)C(CCC(C)C(=O)N2CCOCC2)=C(C)C1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
GAA P10253 2/20 0.46
PKM P14618 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 3/20 0.38
AIMP2 Q13155 1/20 0.37
MEN1 O00255 1/20 0.37
LIPE Q05469 1/20 0.36
FKBP1A P62942 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL1785103 0.85 DPP4 (0.37) CYP3A4CYP2C19
SCHEMBL1782898 0.85 PIK3CD (0.37) CYP3A4CYP2C19GAAKMT2A
SCHEMBL1656645 0.83 DPP4 (0.37) KMT2AALDH1A1MEN1LIPE
SCHEMBL1784103 0.75 RAB9A (0.49) CYP3A4CYP2C19GAATSHRALDH1A1
SCHEMBL20733007 0.73 CYP3A4 (0.59) CYP3A4CYP2C19GAAPKMKMT2A
SCHEMBL8488383 0.73 CYP3A4 (0.55) CYP3A4CYP2C19GAAPKMKMT2A
SCHEMBL8488385 0.73 CYP3A4 (0.55) CYP3A4CYP2C19GAAPKMKMT2A
SCHEMBL29005257 0.72 FKBP1A (0.58) GAAKMT2ATSHRALDH1A1MEN1
SCHEMBL25015600 0.71 PTPN2 (0.42)
SCHEMBL1785701 0.71 PTPN2 (0.42)

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 CYP3A4 2495/4885CYP2C19 1720/4885GAA 187/4885
US-20140329860-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES NQO1, TXNRD2, MT-ND2 CYP3A4 2495/4885CYP2C19 1720/4885GAA 187/4885

“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.