SCHEMBL3898804

SCHEMBL3898804

FC(F)(F)Oc1cc(CCl)ccc1C1CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.37
HCRTR1 O43613 9/20 0.35
HCRTR2 O43614 8/20 0.35
ALOX5AP P20292 3/20 0.34
FEN1 P39748 3/20 0.34
MRGPRX4 Q96LA9 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
TTR P02766 1/20 0.33

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
SCHEMBL3908320 0.84 EPHX1 (0.37) EPHX1HCRTR1HCRTR2MRGPRX4CCNA2
SCHEMBL31481068 0.77 CHRNB2 (0.35) EPHX1HCRTR1HCRTR2ALOX5APFEN1
SCHEMBL16957880 0.77 NOTUM (0.33)
SCHEMBL16957882 0.77 SLC6A2 (0.47)
SCHEMBL3901815 0.77 NOTUM (0.44)
SCHEMBL9824390 0.76 EPHX1 (0.45) EPHX1TTR
SCHEMBL10984090 0.76 KCNN4 (0.42) TTR
SCHEMBL2294848 0.75 TTR (0.35) EPHX1TTR
SCHEMBL13598350 0.73 NOTUM (0.44)
SCHEMBL2713113 0.73 TTR (0.51) HCRTR1HCRTR2TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 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 (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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 EPHX1 1539/4885HCRTR1 110/4885HCRTR2 62/4885

“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.