SCHEMBL1658199

SCHEMBL1658199

CC1=C(C)C(=O)C(CCCC(=O)Nc2ccccc2)=C(C)C1=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.69
HDAC8 Q9BY41 14/20 0.69
HDAC6 Q9UBN7 14/20 0.69
HDAC3 O15379 13/20 0.69
HDAC2 Q92769 13/20 0.69
HDAC4 P56524 13/20 0.52
HDAC11 Q96DB2 13/20 0.52
HDAC5 Q9UQL6 13/20 0.52
HDAC7 Q8WUI4 12/20 0.52
HDAC9 Q9UKV0 12/20 0.52
HDAC10 Q969S8 12/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
POLB P06746 1/20 0.52
CYP3A4 P08684 2/20 0.51
KDM4E B2RXH2 1/20 0.51
BRD4 O60885 1/20 0.51
NCOR1 O75376 1/20 0.51
NR1I2 O75469 1/20 0.51
EGFR P00533 1/20 0.51

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
SCHEMBL16294886 0.91 HDAC1 (0.64) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL1656646 0.89 HDAC3 (0.57) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL1658839 0.86 HDAC3 (0.54) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL1659448 0.86 HDAC3 (0.54) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL1658857 0.84 EPHX2 (0.54) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL1660782 0.84 LMNA (0.60) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL1658871 0.84 MEN1 (0.54) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL1783933 0.84 L3MBTL1 (0.65) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL1657676 0.83 POLB (0.53) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL1785946 0.83 HDAC1 (0.50) HDAC1HDAC8HDAC6HDAC3HDAC2

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 HDAC1 1835/4885HDAC8 2811/4885HDAC6 765/4885
US-20140329860-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES NQO1, TXNRD2, MT-ND2 HDAC1 1835/4885HDAC8 2811/4885HDAC6 765/4885

“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.