SCHEMBL147979

SCHEMBL147979

O=[N+]([O-])c1c[c]ccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.41
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 3/20 0.38
ALOX15 P16050 2/20 0.38
TSHR P16473 2/20 0.38
HPGD P15428 1/20 0.38
HIF1A Q16665 1/20 0.38
TXNRD1 Q16881 1/20 0.38
TXNRD3 Q86VQ6 1/20 0.38
TXNRD2 Q9NNW7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SIRT6 Q8N6T7 1/20 0.37
AR P10275 7/20 0.36
CES2 O00748 1/20 0.36
ABCB11 O95342 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36

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
SCHEMBL317776 0.85 CYP3A4 (0.42) KIF11ALDH1A1CYP3A4ALOX15TSHR
SCHEMBL16961792 0.81 ALDH1A1 (0.40) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL29009357 0.76 ALDH1A1 (0.44) ALDH1A1CYP3A4HPGDHIF1ATDP1
SCHEMBL57882 0.76 TSHR (0.40) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL710076 0.75 ALDH1A1 (0.47) ALDH1A1CYP3A4ALOX15TSHRHPGD
SCHEMBL6800906 0.74 TDP1 (0.38) ALDH1A1CYP3A4ALOX15TSHRHIF1A
SCHEMBL10819050 0.74 ALDH1A1 (0.36) ALDH1A1CYP3A4ALOX15TSHRHPGD
SCHEMBL21268246 0.74 NPC1 (0.39) ALDH1A1CYP3A4ALOX15LMNACYP1A2
SCHEMBL28866741 0.73 ALDH1A1 (0.49) ALDH1A1CYP3A4ALOX15TSHRHPGD
SCHEMBL29190084 0.73 ALDH1A1 (0.49) KIF11ALDH1A1CYP3A4ALOX15TSHR

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 73 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
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
EP-0354729-B1 Cytotoxic drug conjugates LILLY CO ELI (US) 1994-01-12 EP disclosed
US-5144012-A Antibody derivatized with a methotrexate drug ELI LILLY AND COMPANY (US) 1992-09-01 US disclosed
US-5028697-A Antitumor agents, cell specific ELI LILLY AND COMPANY (US) 1991-07-02 US disclosed
EP-0212428-B1 DIHYDROBENZO/B /THIOPHENES AND PHARMACEUTICAL COMPOSITIONS THEREOF USEFUL AS ANTIFUNGALS SCHERING CORPORATION (US) 1990-06-06 EP disclosed
EP-0354729-A2 Cytotoxic drug conjugates ELI LILLY AND COMPANY (US) 1990-02-14 EP disclosed
US-4731364-A Dihydrobenzo(B)thiophenes and pharmaceutical compositions thereof useful as antifungals SCHERING CORPORATION (US) 1988-03-15 US disclosed
EP-0212428-A1 Dihydrobenzo/b /thiophenes and pharmaceutical compositions thereof useful as antifungals SCHERING CORPORATION (US) 1987-03-04 EP 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 (1 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 KIF11 1256/4885ALDH1A1 1455/4885CYP3A4 382/4885

“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.