SCHEMBL5866470

SCHEMBL5866470

O=C1c2c(F)cccc2-c2cccc(F)c21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
MAPT P10636 4/20 0.44
MAOA P21397 3/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAOB P27338 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CDC25B P30305 1/20 0.41

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
SCHEMBL8916299 0.92 MAPT (0.54) CA1CA2CA7CA9MAPT
SCHEMBL10716838 0.90 MAOA (0.52) CA1CA2CA7CA9MAPT
SCHEMBL2072999 0.88 MAPT (0.52) CA1CA2CA7CA9MAPT
SCHEMBL13487411 0.88 PTPRC (0.59) CA1CA2CA7CA9MAPT
SCHEMBL13487412 0.84 CA1 (0.52) CA1CA2CA7CA9MAPT
SCHEMBL760904 0.83 ADORA2A (0.57) CA1CA2CA7CA9MAPT
SCHEMBL31307459 0.83 CA1 (0.43) CA1CA2CA7CA9MAPT
SCHEMBL22730644 0.81 PTPRC (0.49) CA1CA2CA7CA9MAPT
SCHEMBL7805629 0.80 CA1 (0.44) CA1CA2CA7CA9MAPT
SCHEMBL9810988 0.80 PTPN1 (0.47) CA1CA2CA7CA9MAPT

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-1349822-B1 FLUORINATED AROMATIC COMPOUNDS AND THE USE OF THE SAME IN LIQUID CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 2016-09-28 EP disclosed
EP-1349822-B1 FLUORINATED AROMATIC COMPOUNDS AND THE USE OF THE SAME IN LIQUID CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 2016-09-28 EP disclosed
US-7018685-B2 Fluorinated aromatic compounds and the use of the same in liquid crystal mixtures MERCK PATENT GMBH (DE) 2006-03-28 US disclosed
US-20040124399-A1 Fluorinated aromatic compounds and the use of the same in liquid crystal mixtures MERCK PATENT GMBH (DE) 2004-07-01 US disclosed
EP-1349822-A1 FLUORINATED AROMATIC COMPOUNDS AND THE USE OF THE SAME IN LIQUID CRYSTAL MIXTURES CLARIANT INTERNATIONAL LTD. (CH) 2003-10-08 EP disclosed
WO-2002055463-A1 FLUORINATED AROMATIC COMPOUNDS AND THE USE OF THE SAME IN LIQUID CRYSTAL MIXTURES CLARIANT INTERNATIONAL LTD. (CH) 2002-07-18 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-20040124399-A1 Fluorinated aromatic compounds and the use of the same in liquid crystal mixtures AFF1, AFF2, FLI1 CA1 671/4885CA2 414/4885CA7 455/4885

“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.