SCHEMBL128105

SCHEMBL128105

CCN1C(=O)c2cc(Br)c3c4c(c(Br)cc(c24)C1=O)C(=O)N(CC)C3=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 5/20 0.55
POLB P06746 1/20 0.39
ALDH1A1 P00352 5/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 1/20 0.37
ATM Q13315 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
MPI P34949 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
CLTC Q00610 1/20 0.35
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33

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
SCHEMBL127891 0.95 CYP1B1 (0.56) CYP1B1POLBALDH1A1LMNAKDM4E
SCHEMBL17682034 0.87 CYP1B1 (0.50) CYP1B1POLBALDH1A1LMNAKDM4E
SCHEMBL127231 0.87 CYP1B1 (0.50) CYP1B1POLBALDH1A1LMNAKDM4E
SCHEMBL19239495 0.85 CYP1B1 (0.51) CYP1B1POLBALDH1A1LMNAKDM4E
SCHEMBL17264176 0.79 CYP1B1 (0.39) CYP1B1POLBALDH1A1LMNAKDM4E
SCHEMBL13589566 0.79 ALDH1A1 (0.47) CYP1B1POLBALDH1A1LMNAKDM4E
SCHEMBL19239502 0.79 CYP1B1 (0.43) CYP1B1POLBALDH1A1LMNAKDM4E
SCHEMBL3684269 0.79 CYP1B1 (0.48) CYP1B1POLBALDH1A1LMNAKDM4E
SCHEMBL10261652 0.77 CYP1B1 (0.57) CYP1B1POLBALDH1A1LMNAKDM4E
SCHEMBL25221778 0.77 TERT (0.48) CYP1B1POLBALDH1A1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170250347-A1 ORGANIC SEMICONDUCTOR COMPOSITION COMPRISING A LIQUID MEDIUM BASF SE (DE) 2017-08-31 US disclosed
US-20170237005-A1 PROCESS FOR PREPARING A CRYSTALLINE ORGANIC SEMICONDUCTOR MATERIAL BASF SE (DE) 2017-08-17 US disclosed
US-20150123090-A1 METHOD FOR THE DEPOSITION OF AN ORGANIC MATERIAL BASF SE (DE) 2015-05-07 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-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

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-20120059168-A1 NAPHTHALENETETRACARBOXYLIC ACID DERIVATIVES AND THEIR USE AS SEMICONDUCTORS TST, NANS, NCDN CYP1B1 1494/4885POLB 1241/4885ALDH1A1 2384/4885
US-20080300405-A1 Naphthalenetetracarboxylic Aicd Derivatives and their Use as Semiconductors ADSL, ALAD, EED CYP1B1 3240/4885POLB 2200/4885ALDH1A1 1083/4885
US-20170250347-A1 ORGANIC SEMICONDUCTOR COMPOSITION COMPRISING A LIQUID MEDIUM CRY1, NEFM, OR10J3 CYP1B1 4419/4885POLB 1747/4885ALDH1A1 4298/4885

“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.