SCHEMBL1659004

SCHEMBL1659004

CC1=C(C)C(=O)C(CCCC(=O)NC(C)(C)CO)=C(C)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
ALOX15 P16050 5/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
CDC25B P30305 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
LMNA P02545 1/20 0.34
PGR P06401 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL1782953 0.78 HDAC3 (0.41) ALDH1A1ALOX15PTPN2PTPN1CDC25B
SCHEMBL1785657 0.77 ALOX15 (0.43) ALOX15HPGDPTPN2PTPN1CDC25B
SCHEMBL1783475 0.76 CNR1 (0.40) ALDH1A1HPGDLMNAPGRCYP3A4
SCHEMBL1784276 0.73 CNR1 (0.41) ALDH1A1HPGDHDAC3HDAC1HDAC2
SCHEMBL1658812 0.72 ALOX15 (0.41) ALDH1A1ALOX15PTPN2PTPN1CDC25B
SCHEMBL16067271 0.72 ALOX15 (0.41) ALDH1A1ALOX15SMN1; SMN2PTPN2PTPN1
SCHEMBL12927515 0.71 ALDH1A1 (0.50) ALDH1A1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL22825031 0.70 ALDH1A1 (0.62) ALDH1A1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL1658199 0.70 HDAC1 (0.69) ALDH1A1ALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL1656646 0.70 HDAC3 (0.57) ALDH1A1NPC1RAB9AHPGDSMN1; SMN2

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 13 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-8716527-B2 2-substituted-p-quinone derivatives for treatment of oxidative stress diseases EDISON PHARMACEUTICALS, INC. (US) 2014-05-06 US claimed
US-20110124679-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES PTC THERAPEUTICS, INC. 2011-05-26 US claimed
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 ALDH1A1 413/4885ALOX15 452/4885NPC1 1018/4885
US-20140329860-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES NQO1, TXNRD2, MT-ND2 ALDH1A1 413/4885ALOX15 452/4885NPC1 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.