SCHEMBL1784018

SCHEMBL1784018

CC1=C(C)C(=O)C(CCNC(=O)C(C)c2ccc(F)cc2)=C(C)C1=O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA4 P22748 2/20 0.43
CA9 Q16790 2/20 0.43
GRM7 Q14831 1/20 0.40
KMT2A Q03164 2/20 0.39
CACNA1B Q00975 2/20 0.39
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL1785402 0.87 TRPV1 (0.45) CA12CA1CA2CA4CA9
SCHEMBL3410800 0.81 L3MBTL1 (0.42) L3MBTL1CA12CA1CA2CA4
SCHEMBL1657666 0.79 NPC1 (0.55) KMT2AMEN1POLB
SCHEMBL1658744 0.76 CA12 (0.55) CA12CA1CA2CA9KMT2A
SCHEMBL1784901 0.75 NAAA (0.40) L3MBTL1KMT2APOLB
SCHEMBL1660764 0.75 ALDH1A1 (0.48) KMT2AMEN1POLB
SCHEMBL1659001 0.75 HPGD (0.58) CA12CA1CA2CA9KMT2A
SCHEMBL1784264 0.75 CES2 (0.43) KMT2AMEN1
SCHEMBL1783930 0.75 NAAA (0.55) KMT2APOLB
SCHEMBL29095239 0.72 GRM7 (0.55) L3MBTL1GRM7KMT2AMEN1

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 9 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
US-20140329860-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES EDISON PHARMACEUTICALS, INC. (US) 2014-11-06 US 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 L3MBTL1 1200/4885CA12 4853/4885CA1 4805/4885
US-20140329860-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES NQO1, TXNRD2, MT-ND2 L3MBTL1 1200/4885CA12 4853/4885CA1 4805/4885

“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.