SCHEMBL698233

SCHEMBL698233

Cc1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc(C)c1N

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL9861493 0.98 POLB (0.45) POLBALDH1A1TP53CYP3A4TSHR
SCHEMBL5958703 0.98 POLB (0.45) POLBALDH1A1TP53CYP3A4TSHR
SCHEMBL5958687 0.98 POLB (0.45) POLBALDH1A1TP53CYP3A4TSHR
SCHEMBL5958671 0.93 POLB (0.48) POLBALDH1A1TP53CYP3A4TSHR
SCHEMBL9861913 0.85 POLB (0.42) POLBALDH1A1TP53CYP3A4TSHR
SCHEMBL2006163 0.84 POLB (0.52) POLBALDH1A1TP53CYP3A4TSHR
SCHEMBL697863 0.78 ESR1 (0.48) ALDH1A1CYP3A4
SCHEMBL288953 0.78 POLB (0.46) POLBALDH1A1TP53CYP3A4TSHR
SCHEMBL5958674 0.78 CYP3A4 (0.43) ALDH1A1TP53CYP3A4TSHRTDP1
SCHEMBL9861439 0.77 POLB (0.52) POLBALDH1A1TP53CYP3A4TSHR

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423188-B1 Intermediates in the preparation of agricultural/horticultural insecticides and method for using the same MITSUI CHEMICALS AGRO INC (JP) 2021-03-10 EP disclosed
EP-1661886-B1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF MITSUI CHEMICALS AGRO INC (JP) 2016-08-10 EP disclosed
US-9101135-B2 Agricultural/horticultural insecticide and method for using the same MITSUI CHEMICALS, INC. (JP) 2015-08-11 US disclosed
US-9089133-B2 Insecticide for agricultural or horticultural use and method of use thereof MITSUI CHEMICALS, INC. (JP) 2015-07-28 US disclosed
US-20140303377-A1 AGRICULTURAL/HORTICULTURAL INSECTICIDE AND METHOD FOR USING THE SAME MITSUI CHEMICALS, INC. (JP) 2014-10-09 US disclosed
US-8816128-B2 Insecticide for agricultural or horticultural use and method of use thereof MITSUI CHEMICALS, INC. (JP) 2014-08-26 US disclosed
US-20130066114-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF MITSUI CHEMICALS, INC. (JP) 2013-03-14 US disclosed
US-20120220802-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF MITSUI CHEMICALS, INC. (JP) 2012-08-30 US disclosed
US-8158814-B2 Insecticide for agricultural or horticultural use and method of use thereof MITSUI CHEMICALS, INC. (JP) 2012-04-17 US disclosed
EP-2423188-A1 Agricultural/Horticultural Insecticide and Method for Using the Same MITSUI CHEMICALS AGRO, INC. (JP) 2012-02-29 EP disclosed
US-20070027154-A1 Insecticide for agricultural or horticultural use and method of use thereof MITSUI CHEMICALS., INC. (JP) 2007-02-01 US disclosed
EP-1006102-B1 Process for the production of perfluoroalkylated aniline derivatives NIHON NOHYAKU CO LTD (JP) 2006-08-30 EP disclosed
EP-1661886-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF Mitsui Chemicals, Inc. (JP) 2006-05-31 EP disclosed
US-6717013-B2 EASILY ATTAINED WITH HIGH POSITIONAL SELECTIVITY AND YIELD; INTERMEDIATES AND RAW MATERIALS NIHON NOHYAKU CO., LTD. (JP) 2004-04-06 US disclosed
EP-1380568-A2 Perfluoroalkylaniline derivatives NIHON NOHYAKU CO., LTD. (JP) 2004-01-14 EP disclosed
US-20030204104-A1 Perfluoroalkylated aniline compound and process for producing the same NIHON NOHYAKU CO., LTD. (JP) 2003-10-30 US disclosed
US-6600074-B2 Useful as intermediates or raw materials for the synthesis of agricultural chemicals, pharmaceuticals NIHON NOHYAKU CO., LTD. (JP) 2003-07-29 US disclosed
US-20020198399-A1 Perfluoroalkylated aniline compound and process for producing the same NIHON NOHYAKU CO., LTD. (JP) 2002-12-26 US disclosed
EP-1006102-A2 Aniline derivative and process for producing the same NIHON NOHYAKU CO., LTD. (JP) 2000-06-07 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 (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-20140303377-A1 AGRICULTURAL/HORTICULTURAL INSECTICIDE AND METHOD FOR USING THE SAME CBR3, ATL3, CNPY2 POLB 4611/4885ALDH1A1 1956/4885TP53 3784/4885
US-20120220802-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF CYP1A2, CYP2C9, CYP3A7 POLB 3972/4885ALDH1A1 145/4885TP53 4691/4885
US-20130066114-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF CYP2C8, CYP4F8, CYP3A7 POLB 3392/4885ALDH1A1 184/4885TP53 4675/4885
US-20070027154-A1 Insecticide for agricultural or horticultural use and method of use thereof CBR3, ATL3, CNPY2 POLB 4471/4885ALDH1A1 1149/4885TP53 4130/4885
US-20020198399-A1 Perfluoroalkylated aniline compound and process for producing the same CYP8B1, CCR8, AFF1 POLB 2228/4885ALDH1A1 722/4885TP53 3379/4885
US-20030204104-A1 Perfluoroalkylated aniline compound and process for producing the same CYP8B1, CCR8, AFF1 POLB 2228/4885ALDH1A1 722/4885TP53 3379/4885

“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.