SCHEMBL3207733

SCHEMBL3207733

O=[N+]([O-])c1ccc(-c2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.53
PDE7A Q13946 1/20 0.53
PTPRC P08575 3/20 0.52
S100A4 P26447 2/20 0.52
ALDH1A1 P00352 3/20 0.51
AKR1C3 P42330 2/20 0.50
AKR1C2 P52895 2/20 0.50
POLB P06746 1/20 0.50
ABCC8 Q09428 1/20 0.49
KCNJ11 Q14654 1/20 0.49
CYP3A4 P08684 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
MCL1 Q07820 1/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
CES1 P23141 1/20 0.46

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
Water SCHEMBL27993079 0.98 AR (0.52) ARPDE7APTPRCS100A4ALDH1A1
SCHEMBL10937122 0.93 AKR1C3 (0.52) ARPDE7APTPRCS100A4ALDH1A1
SCHEMBL9298850 0.91 PTPRC (0.51) ARPDE7APTPRCS100A4ALDH1A1
SCHEMBL10939165 0.90 AR (0.47) ARPDE7APTPRCS100A4ALDH1A1
SCHEMBL13487162 0.90 ALDH1A1 (0.49) ARPDE7APTPRCS100A4ALDH1A1
SCHEMBL10938779 0.90 POLB (0.65) ARPDE7APTPRCS100A4ALDH1A1
SCHEMBL30369258 0.90 POLB (0.65) ARPDE7APTPRCS100A4ALDH1A1
SCHEMBL28283181 0.89 AKR1C3 (0.63) ARPDE7APTPRCS100A4ALDH1A1
Hydrochloric Acid SCHEMBL30302278 0.88 POLB (0.62) ARPDE7APTPRCS100A4ALDH1A1
Hydrochloric Acid SCHEMBL30302276 0.88 POLB (0.62) ARPDE7APTPRCS100A4ALDH1A1

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114957015-B 2,2 ′ -bis (trifluoromethyl) -4,4 ′ Preparation method of diaminobiphenyl 河北海力恒远新材料股份有限公司 2023-12-26 CN claimed
CN-114957015-A 2,2 ′ -bis (trifluoromethyl) -4,4 ′ Process for preparing diaminobiphenyl 河北海力香料股份有限公司 2022-08-30 CN claimed
CN-110078623-B Method for preparing 2,2 '-bis (trifluoromethyl) -4, 4' -dinitrobiphenyl 天津众泰材料科技有限公司 2022-05-06 CN claimed
CN-109535005-B Preparation method of 2,2 '-bis (trifluoromethyl) -4,4' -diaminobiphenyl 山东华夏神舟新材料有限公司 2022-01-25 CN claimed
CN-109535005-A The preparation method of 2,2`- bis trifluoromethyl -4,4`- benzidine 山东华夏神舟新材料有限公司 2019-03-29 CN claimed
CN-108864454-A A kind of electronic device high transparency, high flexibility Kapton and preparation method 成都市水泷头化工科技有限公司 2018-11-23 CN claimed
US-20100036167-A1 PROCESS FOR PRODUCTION OF 2,2'-BIS(TRIFLUOROMETHYL)-4,4'-DIAMINOBIPHENYL TORAY FINE CHEMICALS CO., LTD. (JP) 2010-02-11 US claimed
EP-2100874-A1 PROCESS FOR PRODUCTION OF 2,2'-BIS(TRIFLUOROMETHYL)- 4,4'-DIAMINOBIPHENYL Toray Fine Chemicals Co., Ltd. (JP) 2009-09-16 EP claimed
JP-3044355-A None JP disclosed
CN-115124430-B Synthesis process of 2,2' -di (trifluoromethyl) diaminobiphenyl 苏利制药科技江阴有限公司 2024-05-07 CN disclosed
CN-114957015-B 2,2 ′ -bis (trifluoromethyl) -4,4 ′ Preparation method of diaminobiphenyl 河北海力恒远新材料股份有限公司 2023-12-26 CN disclosed
CN-114957015-B 2,2 ′ -bis (trifluoromethyl) -4,4 ′ Preparation method of diaminobiphenyl 河北海力恒远新材料股份有限公司 2023-12-26 CN disclosed
CN-116586079-A Monoatomic cobalt catalyst, preparation method and application 湖南贝泓新材料股份有限公司 2023-08-15 CN disclosed
CN-115124430-A Synthesis process of 2,2' -bis (trifluoromethyl) diaminobiphenyl 苏利制药科技江阴有限公司 2022-09-30 CN disclosed
US-4597891-A PERYLENE DYES POLAROID CORPORATION (US) 1986-07-01 US disclosed
US-4503248-A ANISOTROPIC POLYMERS POLAROID CORPORATION (US) 1985-03-05 US disclosed
EP-0061026-B1 SUBSTITUTED-QUATERPHENYLENE POLYAMIDES POLAROID CORPORATION (US) 1985-01-30 EP disclosed
US-4461886-A AROMATIC POLYAMIDES CONTAINING HALO, NITRO OR UNSATURATED SUBSTITUENTS; FILMS; FIBERS POLAROID CORPORATION (US) 1984-07-24 US disclosed
US-4393194-A OPTICAL FILTERS POLAROID CORPORATION (US) 1983-07-12 US disclosed
EP-0061026-A1 Substituted-quaterphenylene polyamides POLAROID CORPORATION (US) 1982-09-29 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-20100036167-A1 PROCESS FOR PRODUCTION OF 2,2'-BIS(TRIFLUOROMETHYL)-4,4'-DIAMINOBIPHENYL DDT, DBF4, CYP4B1 AR 4710/4885PDE7A 2644/4885PTPRC 1996/4885

“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.