SCHEMBL5358402

SCHEMBL5358402

N#Cc1ccc(C(F)(C(F)(F)F)C(F)(F)F)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.54
CYP3A4 P08684 1/20 0.44
CYP3A5 P20815 1/20 0.44
TRPV4 Q9HBA0 1/20 0.40
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
IMPDH2 P12268 1/20 0.35
IMPDH1 P20839 1/20 0.35
PDK2 Q15119 1/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
CYP17A1 P05093 1/20 0.35
CYP19A1 P11511 1/20 0.35
HRH1 P35367 1/20 0.35
KCNH2 Q12809 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PNMT P11086 1/20 0.34
PTPN1 P18031 2/20 0.34

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
SCHEMBL1727083 0.84 KIF11 (0.73) KIF11CYP3A4CYP3A5TRPV4
SCHEMBL30168580 0.84 KIF11 (0.73) KIF11CYP3A4CYP3A5TRPV4
SCHEMBL8574981 0.82 KIF11 (0.56) KIF11CYP3A4CYP3A5TRPV4NR3C1
SCHEMBL2636950 0.81 KIF11 (0.51) KIF11CYP3A4CYP3A5TRPV4NR3C1
SCHEMBL17888539 0.81 KIF11 (0.54) KIF11CYP3A4CYP3A5TRPV4NR3C1
SCHEMBL5353024 0.79 KIF11 (0.41) KIF11TRPV4IMPDH2IMPDH1PDK2
SCHEMBL12203344 0.78 KIF11 (0.51) KIF11CYP3A4CYP3A5TRPV4NR3C1
SCHEMBL23287025 0.76 KIF11 (0.49) KIF11CYP3A4CYP3A5TRPV4NR3C1
SCHEMBL23704016 0.73 KIF11 (0.46) KIF11CYP3A4CYP3A5TRPV4NR3C1
SCHEMBL185191 0.72 KIF11 (0.58) KIF11CYP3A4CYP3A5TRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169955-B2 Perfluoroisopropylbenzene derivative NIHON NOHYAKU CO., LTD. (JP) 2007-01-30 US disclosed
US-20050113567-A1 Perfluoroisopropylbenzene derivative NIHON NOHYAKU CO., LTD. (JP) 2005-05-26 US disclosed
US-20030187233-A1 PERFLUOROISOPROPYBENZENE DERIVATIVE NIHON NOHYAKU CO., LTD. (JP) 2003-10-02 US disclosed
EP-1253128-A1 PERFLUOROISOPROPYLBENZENE DERIVATIVES Nihon Nohyaku Co., Ltd. (JP) 2002-10-30 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-20030187233-A1 PERFLUOROISOPROPYBENZENE DERIVATIVE AFF1, CBR1, RER1 KIF11 2461/4885CYP3A4 223/4885CYP3A5 281/4885
US-20050113567-A1 Perfluoroisopropylbenzene derivative FFAR3, CBR3, HCAR3 KIF11 1652/4885CYP3A4 197/4885CYP3A5 185/4885

“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.