SCHEMBL1787971

SCHEMBL1787971

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
TRPV1 Q8NER1 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TP53 P04637 3/20 0.48
P2RX7 Q99572 2/20 0.47
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HPGD P15428 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
SCHEMBL1783366 0.90 SMN1; SMN2 (0.63) KMT2ATRPV1SMN1; SMN2MAPTTHRB
SCHEMBL1784753 0.86 POLB (0.49) TRPV1TP53RAB9AALDH1A1HPGD
SCHEMBL1658851 0.85 ALDH1A1 (0.60) KMT2ATRPV1NPC1RAB9AALDH1A1
SCHEMBL1786020 0.85 GAA (0.60) KMT2ATRPV1MAPTALDH1A1HPGD
SCHEMBL1658857 0.81 EPHX2 (0.54) KMT2ASMN1; SMN2TP53MAPTTHRB
SCHEMBL4079701 0.81 SMN1; SMN2 (0.65) KMT2ATRPV1SMN1; SMN2TP53NPC1
SCHEMBL1659422 0.79 MAPT (0.64) KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL1189217 0.79 P2RX7 (0.43) KMT2AP2RX7NPC1RAB9A
SCHEMBL1658868 0.79 HTT (0.62) KMT2ATP53THRBNPC1RAB9A
SCHEMBL6646248 0.79 HPGD (0.68) KMT2ATRPV1SMN1; SMN2NPC1RAB9A

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 KMT2A 2889/4885TRPV1 4429/4885SMN1; SMN2 302/4885
US-20140329860-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES NQO1, TXNRD2, MT-ND2 KMT2A 2889/4885TRPV1 4429/4885SMN1; SMN2 302/4885

“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.