SCHEMBL1782965

SCHEMBL1782965

CC1=C(C)C(=O)C(CCCC(=O)N2CCN(C(=O)C3CC3)CC2)=C(C)C1=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
PARP1 P09874 2/20 0.40
NPC1 O15118 1/20 0.39
CNR1 P21554 2/20 0.39
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.36
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
AR P10275 1/20 0.36
TSHR P16473 1/20 0.36
HPGD P15428 1/20 0.36
HSD11B1 P28845 2/20 0.35
GAA P10253 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL1785462 0.94 ALDH1A1 (0.46) TP53PARP1CNR1ALDH1A1MAPT
SCHEMBL1784779 0.84 NPC1 (0.44) NPC1ALDH1A1MAPTARTSHR
SCHEMBL1782522 0.84 NPC1 (0.44) NPC1ALDH1A1L3MBTL1ARTSHR
SCHEMBL1786647 0.83 KMT2A (0.43) NPC1ALDH1A1HTTL3MBTL1AR
SCHEMBL1786550 0.83 AR (0.39) NPC1ALDH1A1MAPTL3MBTL1AR
SCHEMBL1787253 0.83 ATM (0.47) NPC1ALDH1A1MAPTL3MBTL1AR
SCHEMBL1658858 0.83 ATM (0.52) NPC1ALDH1A1MAPTL3MBTL1TSHR
SCHEMBL1782231 0.82 L3MBTL1 (0.50) NPC1ALDH1A1MAPTL3MBTL1TSHR
SCHEMBL1784103 0.80 RAB9A (0.49) NPC1ALDH1A1MAPTHTTL3MBTL1
SCHEMBL1786937 0.78 PTPN2 (0.35) NPC1MAPTHTTARHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2262508-B1 SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES BIOELECTRON TECH CORP (US) 2018-10-03 EP claimed
EP-2262508-B1 SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES BIOELECTRON TECH CORP (US) 2018-10-03 EP disclosed
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 TP53 1241/4885PARP1 335/4885NPC1 1018/4885
US-20140329860-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES NQO1, TXNRD2, MT-ND2 TP53 1241/4885PARP1 335/4885NPC1 1018/4885

“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.