SCHEMBL1784753

SCHEMBL1784753

CC1=C(C)C(=O)C(CCCC(=O)NCc2cccc(F)c2)=C(C)C1=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
LMNA P02545 3/20 0.49
GAA P10253 1/20 0.48
FOLH1 Q04609 1/20 0.48
TP53 P04637 2/20 0.47
SRC P12931 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
PANK1 Q8TE04 1/20 0.45
PANK3 Q9H999 1/20 0.45
HPGD P15428 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
TRPV1 Q8NER1 1/20 0.44

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
SCHEMBL1657680 0.90 TAAR1 (0.50) TP53HPGDTRPV1
SCHEMBL1787971 0.86 KMT2A (0.49) TP53ALDH1A1RAB9AHPGDTRPV1
SCHEMBL1658203 0.85 LMNA (0.62) POLBLMNATP53ALDH1A1HPGD
SCHEMBL1786020 0.85 GAA (0.60) LMNAGAASRCALDH1A1HPGD
SCHEMBL1658871 0.81 MEN1 (0.54) POLBFOLH1ALDH1A1RAB9A
SCHEMBL1659422 0.79 MAPT (0.64) LMNAALDH1A1MAPK1
SCHEMBL1188758 0.79 LMNA (0.44) LMNASRCALDH1A1MAPK1RAB9A
SCHEMBL1785229 0.79 ALDH1A1 (0.52) LMNAGAAFOLH1ALDH1A1MAPK1
SCHEMBL1658851 0.78 ALDH1A1 (0.60) POLBLMNAALDH1A1RAB9AHPGD
SCHEMBL1659441 0.77 HPGD (0.59) POLBLMNAGAAHPGD

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 POLB 267/4885LMNA 1369/4885GAA 187/4885
US-20140329860-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES NQO1, TXNRD2, MT-ND2 POLB 267/4885LMNA 1369/4885GAA 187/4885

“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.