SCHEMBL1784465

SCHEMBL1784465

COC1=C(C)C(=O)C(CCCC(N)=O)=C(C)C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
LMNA P02545 2/20 0.54
PGR P06401 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
MAOA P21397 1/20 0.54
TBXA2R P21731 1/20 0.54
MAPK1 P28482 1/20 0.54
AVPR2 P30518 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTR2B P41595 1/20 0.54
HTT P42858 1/20 0.54
PDE3A Q14432 1/20 0.54
SIRT2 Q8IXJ6 1/20 0.54
SLC29A1 Q99808 1/20 0.54
ALDH1A1 P00352 1/20 0.51
THRB P10828 1/20 0.51
IDO1 P14902 1/20 0.45

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
SCHEMBL1786222 0.94 MAPT (0.54) MAPTTDP1LMNAPGRCYP3A4
SCHEMBL1786492 0.89 MAPT (0.47) MAPTTDP1LMNAPGRCYP3A4
SCHEMBL1658812 0.83 ALOX15 (0.41) MAPTTDP1LMNAPGRCYP3A4
SCHEMBL7321675 0.79 MAPT (0.64) MAPTTDP1LMNAPGRCYP3A4
SCHEMBL5455302 0.78 MAPT (0.62) MAPTTDP1LMNAPGRCYP3A4
SCHEMBL21026408 0.77 MAPT (0.84) MAPTTDP1LMNAPGRCYP3A4
SCHEMBL5143251 0.73 MAPT (0.51) MAPTTDP1LMNAPGRCYP3A4
SCHEMBL7321407 0.73 MAPT (0.69) MAPTTDP1LMNAPGRCYP3A4
SCHEMBL11005932 0.73 MAPT (0.69) MAPTTDP1LMNAPGRCYP3A4
SCHEMBL11005632 0.73 MAPT (0.69) MAPTTDP1LMNAPGRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 616/4885TDP1 366/4885LMNA 1369/4885
US-20140329860-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES NQO1, TXNRD2, MT-ND2 MAPT 616/4885TDP1 366/4885LMNA 1369/4885

“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.