SCHEMBL1783809

SCHEMBL1783809

CC(=O)NCCC1=C(C)C(=O)C(C)=C(C)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
F13A1 P00488 1/20 0.42
HIF1A Q16665 2/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PTGS1 P23219 1/20 0.39
BLM P54132 1/20 0.39
CYP1A2 P05177 1/20 0.38
TSHR P16473 2/20 0.38
QPCT Q16769 1/20 0.38
QPCTL Q9NXS2 1/20 0.38
ALOX15 P16050 3/20 0.37
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
PTPN2 P17706 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
SCHEMBL1658734 0.83 ALOX15 (0.36) MAPK1LMNAMAPTALOX15MTNR1A
SCHEMBL1659411 0.80 TSHR (0.35) ALDH1A1SMN1; SMN2TSHRALOX15MTNR1A
SCHEMBL1655309 0.79 KMT2A (0.48) TSHRALOX15
SCHEMBL1660789 0.76 HTT (0.37) KDM4EMAPK1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL1659006 0.75 NPC1 (0.57) ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL3357887 0.74 ALOX15 (0.41) KDM4EMAPK1ALDH1A1HPGDLMNA
SCHEMBL1657666 0.73 NPC1 (0.55) ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL1658830 0.73 KMT2A (0.46) KDM4EALDH1A1SMN1; SMN2
SCHEMBL1188817 0.72 MAOB (0.45) KDM4EHIF1AMAPK1LMNAMAPT
SCHEMBL1783930 0.72 NAAA (0.55) MAPK1LMNA

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 10 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
US-20140329860-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES EDISON PHARMACEUTICALS, INC. (US) 2014-11-06 US claimed
US-20110124679-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES PTC THERAPEUTICS, INC. 2011-05-26 US 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 KDM4E 3048/4885F13A1 4650/4885HIF1A 1245/4885
US-20140329860-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES NQO1, TXNRD2, MT-ND2 KDM4E 3048/4885F13A1 4650/4885HIF1A 1245/4885

“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.