SCHEMBL1786937

SCHEMBL1786937

CC1=C(C)C(=O)C(CCCC(=O)N2CC(O)C2)=C(C)C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
CDC25B P30305 1/20 0.35
ALOX15 P16050 3/20 0.34
NPC1 O15118 1/20 0.33
HSD11B1 P28845 4/20 0.32
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
PGR P06401 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAOA P21397 1/20 0.31
TBXA2R P21731 1/20 0.31
MAPK1 P28482 1/20 0.31
AVPR2 P30518 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTR2B P41595 1/20 0.31
HTT P42858 1/20 0.31
PDE3A Q14432 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
SCHEMBL1784779 0.86 NPC1 (0.44) NPC1MAPTLMNAARMEN1
SCHEMBL1658858 0.82 ATM (0.52) NPC1MAPTTDP1MEN1KMT2A
SCHEMBL1787253 0.82 ATM (0.47) NPC1MAPTTDP1ARMEN1
SCHEMBL1782231 0.81 L3MBTL1 (0.50) NPC1MAPTTDP1MEN1KMT2A
SCHEMBL1782522 0.80 NPC1 (0.44) ALOX15NPC1LMNAARMEN1
SCHEMBL1786550 0.79 AR (0.39) ALOX15NPC1MAPTLMNATDP1
SCHEMBL1786647 0.79 KMT2A (0.43) NPC1CYP3A4CYP2D6CYP2C19HTT
SCHEMBL1784103 0.78 RAB9A (0.49) ALOX15NPC1MAPTLMNACYP3A4
SCHEMBL1782965 0.78 TP53 (0.46) NPC1HSD11B1MAPTHTTAR
SCHEMBL1659372 0.77 HDAC3 (0.43) ALOX15MAPTLMNAARMEN1

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 PTPN2 3616/4885PTPN1 4024/4885CDC25B 1123/4885
US-20140329860-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES NQO1, TXNRD2, MT-ND2 PTPN2 3616/4885PTPN1 4024/4885CDC25B 1123/4885

“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.