SCHEMBL5846633

SCHEMBL5846633

Nc1ccc(C(F)(C(F)(F)F)C(F)(F)Br)cc1Br

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
ALDH1A1 P00352 2/20 0.30
PKM P14618 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL5362613 0.92 CA1 (0.39) CA12CA1CA2CA4CA6
SCHEMBL3894118 0.82 CYP3A4 (0.45) ALDH1A1PKMSMN1; SMN2KDM4E
SCHEMBL5847207 0.81 ALDH1A1 (0.43) CA12CA1CA2CA4CA6
SCHEMBL29449219 0.79 ALDH1A1 (0.46) CA12CA1CA2CA4CA6
SCHEMBL40549 0.79 ALDH1A1 (0.46) CA12CA1CA2CA4CA6
SCHEMBL18726208 0.79 FFAR4 (0.38) ALDH1A1PKMSMN1; SMN2KDM4EHPGD
SCHEMBL5845870 0.79 CYP3A4 (0.42) CA12CA1CA2CA4CA6
SCHEMBL16155869 0.78 GAA (0.42) CA1CA2CA9
Hydrochloric Acid SCHEMBL11772004 0.78 ALDH1A1 (0.44) CA12CA1CA2CA4CA6
SCHEMBL7102669 0.77 SMN1; SMN2 (0.44) CA12CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041852-B2 Perfluoroalkylanilines BAYER CHEMICALS AG (DE) 2006-05-09 US claimed
US-20040152898-A1 Perfluoroalkylanilines LANXESS DEUTSCHLAND GMBH (DE) 2004-08-05 US claimed
EP-1418171-A1 Perfluoroalkylanilins Bayer Chemicals AG (DE) 2004-05-12 EP claimed
EP-3556744-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2022-06-01 EP disclosed
EP-3087052-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-11-20 EP disclosed
EP-3556744-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-10-23 EP disclosed
US-9750246-B2 Insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2017-09-05 US disclosed
US-9750246-B2 Insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2017-09-05 US disclosed
US-20170000121-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2017-01-05 US disclosed
EP-1418171-B1 Verfahren zur Herstellung von Perfluoroalkylanilins SALTIGO GMBH (DE) 2011-12-14 EP disclosed
US-7041852-B2 Perfluoroalkylanilines BAYER CHEMICALS AG (DE) 2006-05-09 US disclosed
US-20040152898-A1 Perfluoroalkylanilines LANXESS DEUTSCHLAND GMBH (DE) 2004-08-05 US disclosed
EP-1418171-A1 Perfluoroalkylanilins Bayer Chemicals AG (DE) 2004-05-12 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 (2 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-20170000121-A1 INSECTICIDAL COMPOUNDS ACHE, NIT2, CHRM1 CA12 3992/4885CA1 1233/4885CA2 339/4885
US-20040152898-A1 Perfluoroalkylanilines PFAS, AFF2, AFF4 CA12 4612/4885CA1 4510/4885CA2 4393/4885

“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.