SCHEMBL125917

SCHEMBL125917

O=C1c2cc(Br)c3c4c(cc(Br)c(c24)C(=O)N1CCc1ccccc1)C(=O)N(CCc1ccccc1)C3=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 3/20 0.59
ALDH1A1 P00352 6/20 0.56
MAPT P10636 3/20 0.56
RAB9A P51151 3/20 0.56
GAA P10253 2/20 0.56
KDM4E B2RXH2 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CASP3 P42574 1/20 0.55
PARK7 Q99497 3/20 0.52
ALDH2 P05091 3/20 0.50
ALDH3A1 P30838 3/20 0.50
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
KMT2A Q03164 2/20 0.47
CA4 P22748 2/20 0.47
APAF1 O14727 1/20 0.47
CASP1 P29466 1/20 0.47

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
SCHEMBL25269189 0.96 CYP1B1 (0.62) CYP1B1ALDH1A1MAPTRAB9AGAA
SCHEMBL125857 0.96 CYP1B1 (0.58) CYP1B1ALDH1A1MAPTRAB9AGAA
SCHEMBL10324901 0.85 CYP1B1 (0.54) CYP1B1ALDH1A1MAPTRAB9AGAA
SCHEMBL127851 0.85 CYP1B1 (0.57) CYP1B1ALDH1A1MAPTKDM4ECASP3
SCHEMBL127892 0.82 PARK7 (0.44) CYP1B1ALDH1A1MAPTRAB9AGAA
SCHEMBL13578716 0.82 ALDH1A1 (0.56) CYP1B1ALDH1A1MAPTRAB9AGAA
SCHEMBL12744280 0.81 CYP1B1 (0.64) CYP1B1ALDH1A1MAPTRAB9AGAA
SCHEMBL128107 0.81 CYP1B1 (0.56) CYP1B1ALDH1A1MAPTKDM4ECASP3
SCHEMBL12744279 0.80 CYP1B1 (0.63) CYP1B1ALDH1A1MAPTRAB9AGAA
SCHEMBL127843 0.79 PARK7 (0.44) CYP1B1ALDH1A1MAPTRAB9AGAA

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 CYP1B1 1494/4885ALDH1A1 2384/4885MAPT 2667/4885
US-20080300405-A1 Naphthalenetetracarboxylic Aicd Derivatives and their Use as Semiconductors ADSL, ALAD, EED CYP1B1 3240/4885ALDH1A1 1083/4885MAPT 3436/4885

“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.