SCHEMBL125865

SCHEMBL125865

O=C1c2cc(Br)c3c4c(c(Br)cc(c24)C(=O)N1Cc1ccc(C(F)(F)F)cc1)C(=O)N(Cc1ccc(C(F)(F)F)cc1)C3=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARK7 Q99497 1/20 0.54
CHRM5 P08912 5/20 0.47
CHRM3 P20309 1/20 0.47
CA12 O43570 5/20 0.46
CA1 P00915 5/20 0.46
CA9 Q16790 5/20 0.46
CA2 P00918 4/20 0.46
HSP90AA1 P07900 1/20 0.46
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
HDAC1 Q13547 2/20 0.40
CA7 P43166 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
JUN P05412 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
HDAC2 Q92769 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL127852 0.96 PARK7 (0.55) PARK7CHRM5CHRM3CA12CA1
SCHEMBL127843 0.87 PARK7 (0.44) PARK7CHRM5CHRM3CA12CA1
SCHEMBL12824498 0.84 PARK7 (0.51) PARK7CHRM5CHRM3CA12CA1
SCHEMBL127892 0.83 PARK7 (0.44) PARK7CHRM5CHRM3CA12CA1
SCHEMBL12824502 0.83 PARK7 (0.50) PARK7CHRM5CHRM3CA12CA1
SCHEMBL128107 0.82 CYP1B1 (0.56) CA12CA1CA9CA2HDAC1
SCHEMBL14000759 0.80 PARK7 (0.48) PARK7CHRM5CHRM3CA12CA1
SCHEMBL12824609 0.80 CHRM5 (0.60) PARK7CHRM5CHRM3CA12CA1
SCHEMBL13784296 0.80 CHRM5 (0.56) PARK7CHRM5CHRM3CA12CA1
SCHEMBL127851 0.77 CYP1B1 (0.57) CA12CA1CA9CA2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2532663-B1 Naphthalenetetracarboxylic acid derivatives and their use as semiconductors BASF SE (DE) 2016-03-16 EP disclosed
US-20150123090-A1 METHOD FOR THE DEPOSITION OF AN ORGANIC MATERIAL BASF SE (DE) 2015-05-07 US disclosed
US-20150123090-A1 METHOD FOR THE DEPOSITION OF AN ORGANIC MATERIAL BASF SE (DE) 2015-05-07 US disclosed
WO-2013164761-A1 METHOD FOR THE DEPOSITION OF AN ORGANIC MATERIAL BASF SE (DE) 2013-11-07 WO disclosed
EP-2532663-A1 Naphthalenecarboxylic acid derivatives and their use as semiconductors BASF SE (DE) 2012-12-12 EP disclosed
US-8309728-B2 Naphthalenetetracarboxylic acid derivatives and their use as semiconductors BASF AKTIENGESELLSCHAFT (DE) 2012-11-13 US disclosed
US-8309728-B2 Naphthalenetetracarboxylic acid derivatives and their use as semiconductors BASF AKTIENGESELLSCHAFT (DE) 2012-11-13 US disclosed
US-20120059168-A1 NAPHTHALENETETRACARBOXYLIC ACID DERIVATIVES AND THEIR USE AS SEMICONDUCTORS BASF SE (DE) 2012-03-08 US disclosed
US-20120059168-A1 NAPHTHALENETETRACARBOXYLIC ACID DERIVATIVES AND THEIR USE AS SEMICONDUCTORS BASF SE (DE) 2012-03-08 US disclosed
US-8084603-B2 Naphthalenetetracarboxylic acid derivatives and their use as semiconductors BASF AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
US-8084603-B2 Naphthalenetetracarboxylic acid derivatives and their use as semiconductors BASF AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
US-20080300405-A1 Naphthalenetetracarboxylic Aicd Derivatives and their Use as Semiconductors BASF SE (DE) 2008-12-04 US disclosed
US-20080300405-A1 Naphthalenetetracarboxylic Aicd Derivatives and their Use as Semiconductors BASF SE (DE) 2008-12-04 US disclosed
WO-2007074137-A1 NAPHTHALENETETRACARBOXYLIC ACID DERIVATIVES AND THEIR USE AS SEMICONDUCTORS BASF SE (DE) 2007-07-05 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-20120059168-A1 NAPHTHALENETETRACARBOXYLIC ACID DERIVATIVES AND THEIR USE AS SEMICONDUCTORS TST, NANS, NCDN PARK7 2043/4885CHRM5 1901/4885CHRM3 1636/4885
US-20080300405-A1 Naphthalenetetracarboxylic Aicd Derivatives and their Use as Semiconductors ADSL, ALAD, EED PARK7 3506/4885CHRM5 3772/4885CHRM3 3323/4885

“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.