SCHEMBL148988

SCHEMBL148988

[CH2]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
CYP3A4 P08684 2/20 0.50
TSHR P16473 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
HIF1A Q16665 1/20 0.50
TXNRD1 Q16881 1/20 0.50
TXNRD3 Q86VQ6 1/20 0.50
TXNRD2 Q9NNW7 1/20 0.50
GAA P10253 2/20 0.49
MAPK1 P28482 4/20 0.47
MAPT P10636 6/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL27801673 0.89 ALDH1A1 (0.49) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL13678600 0.85 MAPK1 (0.53) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL28876849 0.83 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL2923553 0.83 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL19371270 0.83 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL31672179 0.83 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL5458551 0.83 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL5237815 0.83 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL258621 0.83 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL28876850 0.83 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRTDP1HPGD

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 62 patents — showing the first 20. 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 claimed
EP-2532663-A1 Naphthalenecarboxylic acid derivatives and their use as semiconductors BASF SE (DE) 2012-12-12 EP claimed
US-20170174676-A1 CHLORINATED NAPTHALENETETRACARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN ORGANIC ELECTRONICS BASF SE (DE) 2017-06-22 US disclosed
US-9583719-B2 Carbazolocarbazol-bis(dicarboximides) and their use as semiconductors BASF SE (DE) 2017-02-28 US disclosed
US-9512354-B2 Chlorinated naphthalenetetracarboxylic acid derivatives, preparation thereof and use thereof in organic electronics BASF SE (DE) 2016-12-06 US disclosed
CN-103874742-B Carbazolocarbazole-bis (dicarboximides) and their use as semiconductors 巴斯夫欧洲公司 2016-08-17 CN disclosed
US-9385326-B2 Triangulene oligomers and polymers and their use as hole conducting material BASF SE (DE) 2016-07-05 US disclosed
EP-2742112-B1 CARBAZOLOCARBAZOL-BIS(DICARBOXIMIDES) AND THEIR USE AS SEMICONDUCTORS BASF SE (DE) 2016-05-18 EP disclosed
EP-2532663-B1 Naphthalenetetracarboxylic acid derivatives and their use as semiconductors BASF SE (DE) 2016-03-16 EP disclosed
EP-2946420-A1 TRIANGULENE OLIGOMERS AND POLYMERS AND THEIR USE AS HOLE CONDUCTING MATERIAL BASF SE (DE) 2015-11-25 EP disclosed
US-20150333275-A1 TRIANGULENE OLIGOMERS AND POLYMERS AND THEIR USE AS HOLE CONDUCTING MATERIAL BASF SE (DE) 2015-11-19 US disclosed
US-20080300405-A1 Naphthalenetetracarboxylic Aicd Derivatives and their Use as Semiconductors BASF SE (DE) 2008-12-04 US disclosed
EP-1987092-A1 FLUORINATED RYLENETETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF BASF SE (DE) 2008-11-05 EP disclosed
EP-1966206-A1 NAPHTHALENETETRACARBOXYLIC ACID DERIVATIVES AND THEIR USE AS SEMICONDUCTORS BASF SE (DE) 2008-09-10 EP disclosed
US-20080090325-A1 METHOD FOR PRODUCING ORGANIC FIELD-EFFECT TRANSISTORS BASF AKTIENGESELLSCHAFT (DE) 2008-04-17 US disclosed
US-20080017850-A1 applying n-type organic semiconducting compound 1,6,7,12-Tetrachloro-N,N'-benzyl-perylene-3,9; 11,12-tetracarboxylic diimide or 1,6,7,12-tetrachloroperylen-3,9; 9,10-tetracarboxylic dianhydride; charge transfer compounds for electronics, optoelectronics and photonic applications; chemical intermediates BASF AKTIENGESELLSCHAFT (DE) 2008-01-24 US disclosed
WO-2007128774-A1 METHOD FOR PRODUCING ORGANIC FIELD-EFFECT TRANSISTORS BASF SE (DE) 2007-11-15 WO disclosed
US-20070259475-A1 METHOD FOR PRODUCING ORGANIC FIELD-EFFECT TRANSISTORS BASF AKTIENGESELLSCHAFT (DE) 2007-11-08 US disclosed
WO-2007093643-A1 FLUORINATED RYLENETETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF BASF SE (DE) 2007-08-23 WO 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 (5 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-20170174676-A1 CHLORINATED NAPTHALENETETRACARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN ORGANIC ELECTRONICS SLCO2A1, SLCO2B1, SLC43A3 ALDH1A1 1455/4885CYP3A4 382/4885TSHR 1739/4885
US-20080300405-A1 Naphthalenetetracarboxylic Aicd Derivatives and their Use as Semiconductors ADSL, ALAD, EED ALDH1A1 1083/4885CYP3A4 1655/4885TSHR 4522/4885
US-20150333275-A1 TRIANGULENE OLIGOMERS AND POLYMERS AND THEIR USE AS HOLE CONDUCTING MATERIAL BECN1, TRPA1, TRPV5 ALDH1A1 2379/4885CYP3A4 3432/4885TSHR 4860/4885
US-20080090325-A1 METHOD FOR PRODUCING ORGANIC FIELD-EFFECT TRANSISTORS POF1B, RCOR1, RCOR3 ALDH1A1 2474/4885CYP3A4 870/4885TSHR 256/4885
US-20080017850-A1 applying n-type organic semiconducting compound 1,6,7,12-Tetrachloro-N,N'-benzyl-perylene-3,9; 11,12-tetracarboxylic diimide or 1,6,7,12-tetrachloroperylen-3,9; 9,10-tetracarboxylic dianhydride; charge transfer compounds for electronics, optoelectronics and photonic applications; chemical intermediates POF1B, NR2C2, NR2E1 ALDH1A1 2033/4885CYP3A4 1223/4885TSHR 192/4885

“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.