SCHEMBL964597

SCHEMBL964597

[CH2]c1ccccc1-c1cccc(C(=O)C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
KMO O15229 1/20 0.39
NR1H4 Q96RI1 2/20 0.37
ACHE P22303 1/20 0.37
ALOX5 P09917 1/20 0.36
BAZ2B Q9UIF8 1/20 0.36
BAZ2A Q9UIF9 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
CNR2 P34972 1/20 0.35
ALDH1A1 P00352 2/20 0.35
PTGER1 P34995 1/20 0.35
MAP4K4 O95819 1/20 0.35
CSNK1G2 P78368 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
MAP4K5 Q9Y4K4 1/20 0.35
PDK2 Q15119 3/20 0.35
AXL P30530 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL964598 0.83 NR1H4 (0.53) RXRARXRBNR1H4
SCHEMBL14226712 0.81 KAT6A (0.50) ACHEALDH1A1
SCHEMBL14226740 0.80 KMO (0.60) RXRARXRBKMOHDAC8
SCHEMBL10031819 0.75 ACHE (0.52) RXRARXRBACHEALOX5HDAC8
SCHEMBL13044219 0.75 RXRA (0.65) RXRARXRBKMOALDH1A1
SCHEMBL7214910 0.74 ALOX5 (0.46) RXRARXRBACHEALOX5MEN1
SCHEMBL17773165 0.73 KAT6A (0.51) PDK2
SCHEMBL17773151 0.72 KAT6A (0.48) RXRARXRBKMOACHEALOX5
SCHEMBL14226725 0.72 CES2 (0.48) RXRARXRBACHE
SCHEMBL14226767 0.72 DHODH (0.51) RXRARXRBKMOHDAC8

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
US-20110245238-A1 Novel Soluble 1,4 Benzodiazepine Compounds and Stable Salts Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-10-06 US claimed
US-20110009393-A1 Novel Soluble 1,4 Benzodiazepine Compounds and Stable Salts Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-01-13 US claimed
US-7759338-B2 Soluble 1,4 benzodiazepine compounds and stable salts thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-07-20 US claimed
EP-2152080-A1 NOVEL SOLUBLE 1,4 BENZODIAZEPINE COMPOUNDS AND STABLE SALTS THEREOF The Regents of the University of Michigan (US) 2010-02-17 EP claimed
WO-2008133635-A1 NOVEL SOLUBLE 1,4 BENZODIAZEPINE COMPOUNDS AND STABLE SALTS THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-11-06 WO claimed
US-20080064686-A1 Novel soluble 1,4 benzodiazepine compounds and stable salts thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-03-13 US claimed
US-20110245238-A1 Novel Soluble 1,4 Benzodiazepine Compounds and Stable Salts Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-10-06 US disclosed
US-20110009393-A1 Novel Soluble 1,4 Benzodiazepine Compounds and Stable Salts Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-01-13 US disclosed
US-7759338-B2 Soluble 1,4 benzodiazepine compounds and stable salts thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-07-20 US disclosed
EP-2152080-A1 NOVEL SOLUBLE 1,4 BENZODIAZEPINE COMPOUNDS AND STABLE SALTS THEREOF The Regents of the University of Michigan (US) 2010-02-17 EP disclosed
WO-2008133635-A1 NOVEL SOLUBLE 1,4 BENZODIAZEPINE COMPOUNDS AND STABLE SALTS THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-11-06 WO disclosed
US-20080064686-A1 Novel soluble 1,4 benzodiazepine compounds and stable salts thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-03-13 US 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 (3 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-20110245238-A1 Novel Soluble 1,4 Benzodiazepine Compounds and Stable Salts Thereof GABRA4, BAD, GABRA1 RXRA 296/4885RXRB 230/4885KMO 1103/4885
US-20080064686-A1 Novel soluble 1,4 benzodiazepine compounds and stable salts thereof GABRA4, BAD, GABRA1 RXRA 296/4885RXRB 230/4885KMO 1103/4885
US-20110009393-A1 Novel Soluble 1,4 Benzodiazepine Compounds and Stable Salts Thereof GABRA4, BAD, GABRA1 RXRA 296/4885RXRB 230/4885KMO 1103/4885

“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.