SCHEMBL447019

SCHEMBL447019

FC(F)(F)C(F)(F)c1cccc(C(Br)Br)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.40
IDO1 P14902 2/20 0.38
TDO2 P48775 2/20 0.38
ACP3 P15309 2/20 0.37
CES2 O00748 1/20 0.37
DAO P14920 1/20 0.33
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
KIF11 P52732 1/20 0.31
PTPN5 P54829 1/20 0.31
SLC6A4 P31645 3/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
HTR6 P50406 1/20 0.31
HTR2A P28223 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31

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
SCHEMBL2966448 0.85 PNMT (0.36) PNMTIDO1TDO2ACP3CES2
SCHEMBL474177 0.83 PNMT (0.55) PNMTIDO1TDO2ACP3CES2
SCHEMBL30705300 0.83 PNMT (0.55) PNMTIDO1TDO2ACP3CES2
SCHEMBL18241875 0.81 DAO (0.40) PNMTIDO1TDO2ACP3CES2
SCHEMBL20738170 0.80 PTPN5 (0.47) PNMTIDO1TDO2ACP3CES2
SCHEMBL11754703 0.79 PNMT (0.36) PNMTIDO1TDO2ACP3CES2
SCHEMBL18378600 0.78 DAO (0.38) PNMTIDO1TDO2ACP3CES2
SCHEMBL861038 0.77 PDE2A (0.46) PNMTIDO1TDO2ACP3CES2
SCHEMBL840852 0.77 PDE2A (0.46) PNMTIDO1TDO2ACP3CES2
SCHEMBL18378410 0.77 PNMT (0.38) PNMTIDO1TDO2ACP3CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435446-B1 FLUORINATED SILYLETHYNYL PENTACENE COMPOUNDS AND COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME 3M INNOVATIVE PROPERTIES CO (US) 2016-11-30 EP disclosed
US-8920679-B2 Fluorinated silylethynyl pentacene compounds and compositions and methods of making and using the same 3M INNOVATIVE PROPERTIES CO. (US) 2014-12-30 US disclosed
US-20120061620-A1 Fluorinated Silyethynyl Pentacene Compounds and Compositions and Methods of Making and Using the Same 3M INNOVATIVE PROPERTIES COMPANY 2012-03-15 US 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-20120061620-A1 Fluorinated Silyethynyl Pentacene Compounds and Compositions and Methods of Making and Using the Same PFAS, FLNB, FLNA PNMT 904/4885IDO1 2200/4885TDO2 1287/4885

“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.