SCHEMBL15518487

SCHEMBL15518487

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 1/20 0.45
PGR P06401 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
MAOA P21397 1/20 0.45
TBXA2R P21731 1/20 0.45
MAPK1 P28482 1/20 0.45
AVPR2 P30518 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTR2B P41595 1/20 0.45
HTT P42858 1/20 0.45
PDE3A Q14432 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
SLC29A1 Q99808 1/20 0.45
ALOX15 P16050 2/20 0.35
ALDH1A1 P00352 2/20 0.33
PTPN2 P17706 1/20 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
SCHEMBL11101641 0.95 MAPT (0.49) TDP1MAPTLMNAPGRCYP3A4
SCHEMBL15520246 0.94 TDP1 (0.42) TDP1MAPTLMNAPGRCYP3A4
SCHEMBL11093696 0.92 MAPT (0.53) TDP1MAPTLMNAPGRCYP3A4
SCHEMBL15517158 0.91 TDP1 (0.39) TDP1MAPTLMNAPGRCYP3A4
Docebenone SCHEMBL522781 0.84 MAPT (0.41) TDP1MAPTLMNAPGRCYP3A4
SCHEMBL15518629 0.84 TDP1 (0.40) TDP1MAPTLMNAPGRCYP3A4
SCHEMBL15519187 0.84 PTPN7 (0.54) TDP1MAPTLMNAPGRCYP3A4
SCHEMBL15515234 0.83 MAPT (0.43) TDP1MAPTLMNAPGRCYP3A4
SCHEMBL15518472 0.83 PTPN2 (0.33) TDP1MAPTLMNAPGRCYP3A4
SCHEMBL11096677 0.81 MAPT (0.62) TDP1MAPTLMNAPGRCYP3A4

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
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
EP-2892515-A1 BENZOQUINONE DERIVATIVES FOR TREATING OXIDATIVE STRESS DISORDERS Edison Pharmaceuticals, Inc. (US) 2015-07-15 EP claimed
WO-2014039917-A1 BENZOQUINONE DERIVATIVES FOR TREATING OXIDATIVE STRESS DISORDERS EDISON PHARMACEUTICALS, INC. (US) 2014-03-13 WO 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-2892516-A1 QUINONE DERIVATIVES FOR USE IN THE MODULATION OF REDOX STATUS OF INDIVIDUALS Edison Pharmaceuticals, Inc. (US) 2015-07-15 EP disclosed
EP-2892515-A1 BENZOQUINONE DERIVATIVES FOR TREATING OXIDATIVE STRESS DISORDERS Edison Pharmaceuticals, Inc. (US) 2015-07-15 EP disclosed
WO-2014039917-A1 BENZOQUINONE DERIVATIVES FOR TREATING OXIDATIVE STRESS DISORDERS EDISON PHARMACEUTICALS, INC. (US) 2014-03-13 WO 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

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 TDP1 778/4885MAPT 1872/4885LMNA 572/4885
US-20150218079-A1 BENZOQUINONE DERIVATIVES FOR TREATING OXIDATIVE STRESS DISORDERS UQCRC1, CYC1, UQCRC2 TDP1 686/4885MAPT 2211/4885LMNA 414/4885
US-20150216820-A1 QUINONE DERIVATIVES FOR USE IN THE MODULATION OF REDOX STATUS OF INDIVIDUALS GSR, GLS, GPX4 TDP1 1828/4885MAPT 3675/4885LMNA 4143/4885

“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.