SCHEMBL5367048

SCHEMBL5367048

COc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1C#N

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 17/20 0.46
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PGR P06401 2/20 0.43
IDH1 O75874 1/20 0.43

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
SCHEMBL5656320 0.86 AR (0.50) ARKDM4EUSP2ALDH1A1PGR
SCHEMBL4623317 0.81 AR (0.50) ARKDM4EUSP2ALDH1A1PGR
SCHEMBL5356483 0.79 AR (0.46) AR
SCHEMBL9951140 0.78 AR (0.56) ARKDM4EUSP2ALDH1A1PGR
SCHEMBL2379685 0.76 ALDH1A1 (0.56) ARKDM4EUSP2ALDH1A1PGR
SCHEMBL286687 0.75 AR (0.47) ARKDM4EUSP2ALDH1A1PGR
SCHEMBL299402 0.75 AR (0.45) ARKDM4EUSP2ALDH1A1PGR
SCHEMBL7168165 0.75 ALDH1A1 (0.54) ARKDM4EUSP2ALDH1A1PGR
SCHEMBL5348425 0.74 MAPT (0.39) KDM4EUSP2ALDH1A1
SCHEMBL5354759 0.74 PGR (0.34) PGR

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 AR 1192/4885KDM4E 2908/4885USP2 1754/4885
US-20050113567-A1 Perfluoroisopropylbenzene derivative FFAR3, CBR3, HCAR3 AR 385/4885KDM4E 3340/4885USP2 2958/4885

“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.