SCHEMBL1785229

SCHEMBL1785229

CC1=C(C)C(=O)C(CCCC(=O)NCc2ccccc2F)=C(C)C1=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
HPGD P15428 4/20 0.52
FOLH1 Q04609 1/20 0.47
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.46
RIPK1 Q13546 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 2/20 0.43
THRB P10828 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.42

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
SCHEMBL1659406 0.89 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL1658868 0.85 HTT (0.62) HPGDHTTLMNATHRBKMT2A
SCHEMBL1786020 0.82 GAA (0.60) ALDH1A1HPGDMAPTLMNAGAA
SCHEMBL1658848 0.81 HDAC3 (0.46) ALDH1A1SMN1; SMN2LMNATHRBKMT2A
SCHEMBL1658203 0.80 LMNA (0.62) ALDH1A1HPGDHTTLMNAKMT2A
SCHEMBL1658856 0.80 RAB9A (0.56) ALDH1A1SMN1; SMN2MAPTHTTLMNA
SCHEMBL1784753 0.79 POLB (0.49) ALDH1A1HPGDFOLH1MAPK1LMNA
SCHEMBL1189215 0.78 RIPK1 (0.52) ALDH1A1HPGDMAPTRIPK1HTT
SCHEMBL1658948 0.77 PLAAT3 (0.49) ALDH1A1HPGDSMN1; SMN2HTTLMNA
SCHEMBL1786050 0.76 HDAC3 (0.58) HPGDLMNATSHRKMT2A

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 8 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
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 ALDH1A1 413/4885HPGD 133/4885FOLH1 3938/4885
US-20140329860-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES NQO1, TXNRD2, MT-ND2 ALDH1A1 413/4885HPGD 133/4885FOLH1 3938/4885

“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.