SCHEMBL145308

SCHEMBL145308

O=[N+]([O-])c1[c]cc(C(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
CYP3A4 P08684 3/20 0.35
ALOX15 P16050 2/20 0.35
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.35
HIF1A Q16665 1/20 0.35
TXNRD1 Q16881 1/20 0.35
TXNRD3 Q86VQ6 1/20 0.35
TXNRD2 Q9NNW7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SIRT6 Q8N6T7 1/20 0.35
PDE7A Q13946 1/20 0.32
AR P10275 2/20 0.31
CES2 O00748 1/20 0.31
ABCB11 O95342 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
GLA P06280 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL9304210 0.85 ALDH1A1 (0.33) ALDH1A1CYP3A4ALOX15TSHRHPGD
SCHEMBL147513 0.84 ALDH1A1 (0.40) ALDH1A1CYP3A4ALOX15TSHRHPGD
SCHEMBL27818989 0.84 ALDH1A1 (0.33) ALDH1A1CYP3A4ALOX15TSHRHPGD
SCHEMBL7500593 0.70 CYP3A4 (0.44) ALDH1A1CYP3A4ALOX15TSHRHPGD
SCHEMBL4577560 0.69 ATM (0.36) ALDH1A1HIF1ATDP1
SCHEMBL330322 0.69 FBP1 (0.41) ALDH1A1CYP3A4ALOX15TSHRHPGD
SCHEMBL8664809 0.69 ALDH1A1 (0.51) ALDH1A1CYP3A4ALOX15TSHRHPGD
SCHEMBL5581181 0.69 MEN1 (0.35) ALDH1A1TSHRTDP1LMNA
SCHEMBL1204635 0.68 ALDH1A1 (0.42) ALDH1A1CYP3A4ALOX15TSHRHPGD
SCHEMBL146794 0.68 ALDH1A1 (0.42) ALDH1A1CYP3A4ALOX15TSHRHPGD

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 59 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-2181172-B1 HALOGEN-CONTAINING PERYLENETETRACARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BASF SE (DE) 2016-02-24 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-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 (4 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 382/4885ALOX15 1011/4885
US-20080300405-A1 Naphthalenetetracarboxylic Aicd Derivatives and their Use as Semiconductors ADSL, ALAD, EED ALDH1A1 1083/4885CYP3A4 1655/4885ALOX15 2871/4885
US-20080090325-A1 METHOD FOR PRODUCING ORGANIC FIELD-EFFECT TRANSISTORS POF1B, RCOR1, RCOR3 ALDH1A1 2474/4885CYP3A4 870/4885ALOX15 3888/4885
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 1223/4885ALOX15 3459/4885

“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.