SCHEMBL1785462

SCHEMBL1785462

CC1=C(C)C(=O)C(CCCC(=O)N2CCN(C(=O)C3CCCCC3)CC2)=C(C)C1=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TSHR P16473 3/20 0.46
TP53 P04637 1/20 0.46
HSD11B1 P28845 1/20 0.45
CNR1 P21554 1/20 0.42
LMNA P02545 1/20 0.42
PARP1 P09874 1/20 0.41
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1782965 0.94 TP53 (0.46) ALDH1A1TSHRTP53HSD11B1CNR1
SCHEMBL1782231 0.84 L3MBTL1 (0.50) ALDH1A1TSHRMEN1MAPTKMT2A
SCHEMBL1658858 0.83 ATM (0.52) ALDH1A1TSHRMEN1MAPTKMT2A
SCHEMBL1787253 0.83 ATM (0.47) ALDH1A1TSHRMEN1MAPTKMT2A
SCHEMBL1782522 0.81 NPC1 (0.44) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL1784779 0.81 NPC1 (0.44) ALDH1A1TSHRLMNAMEN1MAPT
SCHEMBL1786550 0.80 AR (0.39) ALDH1A1LMNAMEN1MAPTKMT2A
SCHEMBL1786647 0.80 KMT2A (0.43) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL1784103 0.77 RAB9A (0.49) ALDH1A1TSHRLMNAMAPTL3MBTL1
SCHEMBL23445922 0.76 TDP1 (0.45) ALDH1A1TSHRMEN1MAPTKMT2A

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 ALDH1A1 413/4885TSHR 4304/4885TP53 1241/4885
US-20140329860-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES NQO1, TXNRD2, MT-ND2 ALDH1A1 413/4885TSHR 4304/4885TP53 1241/4885

“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.