SCHEMBL15519187

SCHEMBL15519187

CC1=C(C)C(=O)C(CCCCC#CCC#CCCCC(=O)O)=C(C)C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 5/20 0.54
TDP1 Q9NUW8 3/20 0.54
RECQL P46063 2/20 0.54
MAPT P10636 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
USP2 O75604 1/20 0.54
ALDH1A1 P00352 1/20 0.54
POLB P06746 1/20 0.54
HPGD P15428 1/20 0.54
ALOX12 P18054 1/20 0.54
BLM P54132 1/20 0.54
KMT2A Q03164 1/20 0.54
MCL1 Q07820 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HMGCR P04035 3/20 0.41
EPHX2 P34913 3/20 0.37
CDC25A P30304 5/20 0.33
CDC25B P30305 5/20 0.33
CDC25C P30307 4/20 0.33

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
SCHEMBL15518629 0.89 TDP1 (0.40) PTPN7TDP1RECQLMAPTKDM4E
SCHEMBL15520246 0.84 TDP1 (0.42) PTPN7TDP1RECQLMAPTKDM4E
SCHEMBL15517158 0.84 TDP1 (0.39) PTPN7TDP1RECQLMAPTKDM4E
SCHEMBL15518487 0.84 TDP1 (0.45) PTPN7TDP1RECQLMAPTKDM4E
SCHEMBL7320816 0.81 F13A1 (0.47) TDP1MAPTMEN1ALDH1A1KMT2A
SCHEMBL7320019 0.81 F13A1 (0.47) TDP1MAPTMEN1ALDH1A1KMT2A
SCHEMBL16067271 0.81 ALOX15 (0.41) TDP1MAPTALDH1A1SMN1; SMN2CDC25A
SCHEMBL15518472 0.79 PTPN2 (0.33) TDP1MAPTALDH1A1CDC25BLMNA
SCHEMBL11101641 0.79 MAPT (0.49) TDP1MAPTALDH1A1CDC25BLMNA
SCHEMBL11093696 0.79 MAPT (0.53) TDP1MAPTALDH1A1CDC25BLMNA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170209393-A1 BENZOQUINONE DERIVATIVES FOR TREATING OXIDATIVE STRESS DISORDERS BIOELECTRON TECHNOLOGY CORPORATION 2017-07-27 US claimed
US-9629815-B2 Benzoquinone derivatives for treating oxidative stress disorders BIOELECTRON TECHNOLOGY CORPORATION (US) 2017-04-25 US claimed
US-20150218079-A1 BENZOQUINONE DERIVATIVES FOR TREATING OXIDATIVE STRESS DISORDERS EDISON PHARMACEUTICALS, INC. (US) 2015-08-06 US claimed
US-20170209393-A1 BENZOQUINONE DERIVATIVES FOR TREATING OXIDATIVE STRESS DISORDERS BIOELECTRON TECHNOLOGY CORPORATION 2017-07-27 US disclosed
US-9629815-B2 Benzoquinone derivatives for treating oxidative stress disorders BIOELECTRON TECHNOLOGY CORPORATION (US) 2017-04-25 US disclosed
US-20150216820-A1 QUINONE DERIVATIVES FOR USE IN THE MODULATION OF REDOX STATUS OF INDIVIDUALS BIOELECTRON TECHNOLOGY CORPORATION 2015-08-06 US disclosed
US-20150218079-A1 BENZOQUINONE DERIVATIVES FOR TREATING OXIDATIVE STRESS DISORDERS EDISON PHARMACEUTICALS, INC. (US) 2015-08-06 US disclosed
EP-2892515-A1 BENZOQUINONE DERIVATIVES FOR TREATING OXIDATIVE STRESS DISORDERS Edison Pharmaceuticals, Inc. (US) 2015-07-15 EP disclosed
EP-2892516-A1 QUINONE DERIVATIVES FOR USE IN THE MODULATION OF REDOX STATUS OF INDIVIDUALS Edison Pharmaceuticals, Inc. (US) 2015-07-15 EP disclosed
WO-2014039862-A1 QUINONE DERIVATIVES FOR USE IN THE MODULATION OF REDOX STATUS OF INDIVIDUALS EDISON PHARMACEUTICALS, INC. (US) 2014-03-13 WO disclosed
WO-2014039917-A1 BENZOQUINONE DERIVATIVES FOR TREATING OXIDATIVE STRESS DISORDERS EDISON PHARMACEUTICALS, INC. (US) 2014-03-13 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 (3 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-20170209393-A1 BENZOQUINONE DERIVATIVES FOR TREATING OXIDATIVE STRESS DISORDERS UQCRC1, TXN2, CYC1 PTPN7 4444/4885TDP1 778/4885RECQL 177/4885
US-20150218079-A1 BENZOQUINONE DERIVATIVES FOR TREATING OXIDATIVE STRESS DISORDERS UQCRC1, CYC1, UQCRC2 PTPN7 4553/4885TDP1 686/4885RECQL 177/4885
US-20150216820-A1 QUINONE DERIVATIVES FOR USE IN THE MODULATION OF REDOX STATUS OF INDIVIDUALS GSR, GLS, GPX4 PTPN7 1378/4885TDP1 1828/4885RECQL 254/4885

“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.