SCHEMBL9057427

SCHEMBL9057427

FC(F)(F)CC(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.46
TAAR1 Q96RJ0 1/20 0.46
HRH1 P35367 6/20 0.42
TDP1 Q9NUW8 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
DPP4 P27487 2/20 0.38
TSHR P16473 2/20 0.38
F2 P00734 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CACNA1F O60840 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
ADRA2B P18089 1/20 0.38
CHRM3 P20309 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRK1 P41145 1/20 0.38
CACNA1D Q01668 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL5865833 0.78 LMNA (0.52) RAB9A
SCHEMBL381296 0.78 SCN4A (0.45) DPP4F2CACNA1FCACNA1DCACNA1S
SCHEMBL18675977 0.78 HTR2A (0.36) HTR2ATAAR1HRH1DPP4TSHR
SCHEMBL9220265 0.78 TSHR (0.44) HTR2ATAAR1HRH1DPP4TSHR
SCHEMBL11066670 0.78 CES2 (0.37) HTR2ATAAR1HRH1DPP4TSHR
SCHEMBL13851912 0.78 TAAR1 (0.52) TAAR1HRH1ALDH1A1CACNA1FCHRM2
SCHEMBL4601134 0.78 TAAR1 (0.52) TAAR1HRH1ALDH1A1CACNA1FCHRM2
SCHEMBL22713230 0.78 SCN4A (0.45) DPP4F2CACNA1FCACNA1DCACNA1S
SCHEMBL21216505 0.78 TAAR1 (0.52) TAAR1HRH1ALDH1A1CACNA1FCHRM2
SCHEMBL11137800 0.77 HRH1 (0.52) HTR2ATAAR1HRH1SIGMAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3215476-B1 METHOD FOR PREPARATION OF FLUORO, CHLORO AND FLUOROCHLORO ALKYLATED COMPOUNDS BY HOMOGENEOUS CATALYSIS LONZA AG (CH) 2018-02-28 EP disclosed
US-20170320878-A1 METHOD FOR PREPARATION OF FLUORO, CHLORO AND FLUOROCHLORO ALKYLATED COMPOUNDS BY HOMOGENEOUS CATALYSIS LONZA LTD (CH) 2017-11-09 US disclosed
US-9809596-B1 Method for preparation of fluoro, chloro and fluorochloro alkylated compounds by homogeneous catalysis LONZA LTD. (CH) 2017-11-07 US disclosed
EP-3215476-A1 METHOD FOR PREPARATION OF FLUORO, CHLORO AND FLUOROCHLORO ALKYLATED COMPOUNDS BY HOMOGENEOUS CATALYSIS Lonza Ltd (CH) 2017-09-13 EP disclosed
WO-2016071425-A1 METHOD FOR PREPARATION OF FLUORO, CHLORO AND FLUOROCHLORO ALKYLATED COMPOUNDS BY HOMOGENEOUS CATALYSIS LONZA LTD (CH) 2016-05-12 WO disclosed
WO-1996014283-A1 PROCESS AND INTERMEDIATES FOR PREPARING TRIPHENYLTRIFLUOROPROPANES AND -PROPENES EGIS Gyógyszergyár Rt. (HU) 1996-05-17 WO 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-20170320878-A1 METHOD FOR PREPARATION OF FLUORO, CHLORO AND FLUOROCHLORO ALKYLATED COMPOUNDS BY HOMOGENEOUS CATALYSIS AOC1, HDHD5, DDT HTR2A 2353/4885TAAR1 108/4885HRH1 810/4885

“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.