SCHEMBL1658749

SCHEMBL1658749

CC1=C(C)C(=O)C(CCCC(=O)N2CCc3ccccc3C2)=C(C)C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
ALDH1A1 P00352 8/20 0.55
HPGD P15428 3/20 0.55
MAPT P10636 2/20 0.55
LMNA P02545 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HSD17B10 Q99714 2/20 0.54
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KDM4E B2RXH2 2/20 0.52
ALOX15 P16050 1/20 0.52
CASP1 P29466 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NLRP3 Q96P20 1/20 0.51
GAA P10253 2/20 0.50
NOTUM Q6P988 2/20 0.49

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
SCHEMBL1659372 0.91 HDAC3 (0.43) HDAC3HDAC1HDAC10HDAC11ALDH1A1
SCHEMBL1658733 0.82 MAPT (0.65) ALDH1A1MAPTHSD17B10TSHRSMN1; SMN2
SCHEMBL3429443 0.79 HDAC3 (0.60) HDAC3HDAC1HDAC10HDAC11ALDH1A1
SCHEMBL1786039 0.78 BLM (0.53) ALDH1A1HPGDMAPTLMNANPSR1
SCHEMBL1660788 0.78 ALDH1A1 (0.57) ALDH1A1HPGDMAPTLMNANPSR1
SCHEMBL1786647 0.78 KMT2A (0.43) ALDH1A1HPGDTSHRSMN1; SMN2MEN1
SCHEMBL1787253 0.77 ATM (0.47) ALDH1A1HPGDMAPTTSHRMEN1
SCHEMBL1658858 0.77 ATM (0.52) ALDH1A1HPGDMAPTTSHRMEN1
SCHEMBL1785875 0.76 POLB (0.54) ALDH1A1HPGDLMNASMN1; SMN2KDM4E
SCHEMBL794685 0.76 HDAC3 (0.72) HDAC3HDAC1HDAC10HDAC11ALDH1A1

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 12 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-20110124679-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES PTC THERAPEUTICS, INC. 2011-05-26 US claimed
JP-2011513423-A 2011-04-28 JP claimed
EP-2262508-A2 SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES Edison Pharmaceuticals, Inc. (US) 2010-12-22 EP claimed
WO-2009111576-A2 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES EDISON PHARMACEUTICALS, INC. (US) 2009-09-11 WO 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 HDAC3 2005/4885HDAC1 1835/4885HDAC10 1935/4885
US-20140329860-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES NQO1, TXNRD2, MT-ND2 HDAC3 2005/4885HDAC1 1835/4885HDAC10 1935/4885

“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.