SCHEMBL1657696

SCHEMBL1657696

CC1=C(C)C(=O)C(CCN(C)C(=O)Cc2ccc(Cl)cc2)=C(C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 8/20 0.41
LTB4R2 Q9NPC1 8/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
TSHR P16473 1/20 0.41
CXCR3 P49682 1/20 0.39
NPC1 O15118 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
CNR2 P34972 2/20 0.38
CNR1 P21554 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
SCHEMBL3411115 0.81 LTB4R (0.39) LTB4RLTB4R2RAB9AALDH1A1HTT
SCHEMBL1788036 0.81 MEN1 (0.43) RAB9AALDH1A1HTTTSHRNPC1
SCHEMBL1658743 0.75 CA12 (0.55) RAB9AALDH1A1NPC1LMNACNR2
SCHEMBL1784462 0.73 RAB9A (0.48) RAB9AALDH1A1HTTNPC1KDM4E
SCHEMBL1658983 0.71 CHRNB2 (0.38) RAB9AALDH1A1HTTL3MBTL1NPC1
SCHEMBL29894648 0.69 RAB9A (0.55) RAB9AALDH1A1HTTL3MBTL1TSHR
SCHEMBL15650312 0.69 ALDH1A1 (0.70) LTB4RLTB4R2RAB9AALDH1A1HTT
SCHEMBL1658971 0.68 MEN1 (0.58) RAB9AALDH1A1TSHRNPC1MAPT
SCHEMBL6973527 0.67 LTB4R (0.46) LTB4RLTB4R2RAB9AALDH1A1HTT
SCHEMBL1658883 0.67 KMT2A (0.54) ALDH1A1HTTTSHRLMNAPOLB

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-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
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 LTB4R 2617/4885LTB4R2 2638/4885RAB9A 1059/4885
US-20140329860-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES NQO1, TXNRD2, MT-ND2 LTB4R 2617/4885LTB4R2 2638/4885RAB9A 1059/4885

“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.