SCHEMBL148989

SCHEMBL148989

O=[N+]([O-])CCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.52
MAOB P27338 1/20 0.46
FBP1 P09467 1/20 0.44
KIF11 P52732 1/20 0.43
MIF P14174 1/20 0.43
FDFT1 P37268 2/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
NR1D1 P20393 1/20 0.42
DAO P14920 4/20 0.41
IDO1 P14902 2/20 0.41
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 1/20 0.41

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
SCHEMBL17541809 0.83 TSHR (0.46)
SCHEMBL28057460 0.80 FBP1 (0.47) TAAR1MAOBFBP1KIF11NR1D1
SCHEMBL10780845 0.79 TAAR1 (0.57) TAAR1MAOBFBP1KIF11MIF
SCHEMBL9810055 0.78 KCNJ1 (0.53) TAAR1MAOBFBP1IDO1
SCHEMBL5644335 0.76 PLAAT3 (0.48) TAAR1MAOBHDAC1HDAC8DAO
SCHEMBL934227 0.76 TAAR1 (0.73) TAAR1MAOBMIFHDAC1HDAC8
SCHEMBL9951459 0.76 KIF11 (0.50) TAAR1MAOBFBP1KIF11FDFT1
SCHEMBL11373063 0.74 EPHX2 (0.43) FBP1KIF11
SCHEMBL8003279 0.74 ALDH1A1 (0.49)
SCHEMBL4543334 0.74 ESR1 (0.54) TAAR1

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 57 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
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-20150179954-A1 SUBSTITUTED TERRYLENE AND QUATERRYLENE DERIVATES AND USE AS SEMICONDUCTORS THEREOF BASF SE (DE) 2015-06-25 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 (6 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 TAAR1 296/4885MAOB 967/4885FBP1 4290/4885
US-20080300405-A1 Naphthalenetetracarboxylic Aicd Derivatives and their Use as Semiconductors ADSL, ALAD, EED TAAR1 3399/4885MAOB 3091/4885FBP1 1113/4885
US-20150333275-A1 TRIANGULENE OLIGOMERS AND POLYMERS AND THEIR USE AS HOLE CONDUCTING MATERIAL BECN1, TRPA1, TRPV5 TAAR1 3319/4885MAOB 3452/4885FBP1 3639/4885
US-20150179954-A1 SUBSTITUTED TERRYLENE AND QUATERRYLENE DERIVATES AND USE AS SEMICONDUCTORS THEREOF TST, CD99, TPST2 TAAR1 52/4885MAOB 446/4885FBP1 3880/4885
US-20080090325-A1 METHOD FOR PRODUCING ORGANIC FIELD-EFFECT TRANSISTORS POF1B, RCOR1, RCOR3 TAAR1 378/4885MAOB 548/4885FBP1 4298/4885
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 TAAR1 669/4885MAOB 1616/4885FBP1 4857/4885

“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.