SCHEMBL1867578

SCHEMBL1867578

CC(=O)C(Cc1ccc(Br)cc1)C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.49
MME P08473 4/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
LDHA P00338 1/20 0.44
EPHX1 P07099 2/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAOB P27338 1/20 0.42
GSK3B P49841 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL9317096 0.89 LDHA (0.52) ACACBLDHAEPHX1ESR1ESR2
SCHEMBL2426124 0.84 MMP8 (0.54) ACACBMMELDHAMEN1KMT2A
SCHEMBL12459110 0.83 MME (0.53) ACACBMMEMEN1NPC1RAB9A
SCHEMBL18921686 0.83 MME (0.45) ACACBMMEPPARGPPARALDHA
SCHEMBL27205 0.83 LDHA (0.57) MMEPPARGPPARALDHA
SCHEMBL2576380 0.82 MME (0.43) ACACBMMELDHAEPHX1ESR1
SCHEMBL19369764 0.82 ACACB (0.47) ACACBMMEPPARGPPARAEPHX1
SCHEMBL22235331 0.82 KMT2A (0.53) ACACBMMEEPHX1ESR1ESR2
SCHEMBL3634087 0.82 ACACB (0.47) ACACBMMEPPARGPPARAEPHX1
SCHEMBL14355742 0.82 SLC7A5 (0.48) ACACBMMEEPHX1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020142228-A1 ANDROGEN RECEPTOR PROTEIN DEGRADERS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-07-09 WO disclosed
US-9382253-B2 Metal complexes MERCK PATENT GMBH (DE) 2016-07-05 US disclosed
CN-102985433-B Metal complex 默克专利有限公司 2016-06-15 CN disclosed
US-20130112921-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-05-09 US disclosed
US-7935847-B2 Nitroxyl ion source with second order reaction nitroxyl release DUKE UNIVERSITY (US) 2011-05-03 US disclosed
US-7935847-B2 Nitroxyl ion source with second order reaction nitroxyl release DUKE UNIVERSITY (US) 2011-05-03 US disclosed
US-7935847-B2 Nitroxyl ion source with second order reaction nitroxyl release DUKE UNIVERSITY (US) 2011-05-03 US disclosed
US-20100094060-A1 NITROXYL ION SOURCE WITH SECOND ORDER REACTION NITROXYL RELEASE DUKE UNIVERSITY (US) 2010-04-15 US disclosed
US-20100094060-A1 NITROXYL ION SOURCE WITH SECOND ORDER REACTION NITROXYL RELEASE DUKE UNIVERSITY (US) 2010-04-15 US disclosed
US-20100094060-A1 NITROXYL ION SOURCE WITH SECOND ORDER REACTION NITROXYL RELEASE DUKE UNIVERSITY (US) 2010-04-15 US disclosed
WO-2008130566-A1 NITROXYL ION SOURCE WITH SECOND ORDER REACTION NITROXYL RELEASE DUKE UNIVERSITY (US) 2008-10-30 WO disclosed
WO-2008130566-A1 NITROXYL ION SOURCE WITH SECOND ORDER REACTION NITROXYL RELEASE DUKE UNIVERSITY (US) 2008-10-30 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-20100094060-A1 NITROXYL ION SOURCE WITH SECOND ORDER REACTION NITROXYL RELEASE NOS2, NOS1, NOS3 ACACB 3829/4885MME 900/4885PPARG 4632/4885
US-20130112921-A1 METAL COMPLEXES MCOLN2, MCOLN1, NCLN ACACB 3706/4885MME 810/4885PPARG 4343/4885

“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.