SCHEMBL4841975

SCHEMBL4841975

O=C(Cc1cc(F)cc(F)c1)c1cc(F)c(F)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 6/20 0.48
CES1 P23141 6/20 0.48
MAPK14 Q16539 1/20 0.45
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAOB P27338 1/20 0.35
MAPK8 P45983 1/20 0.35
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
IDO1 P14902 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL4846480 0.79 MAPT (0.53) CES2CES1MEN1KMT2ASMN1; SMN2
SCHEMBL4745782 0.77 MAPT (0.50) CES1MAPK14MEN1KMT2ALMNA
SCHEMBL14085828 0.77 L3MBTL1 (0.56) CES2CES1KMT2AMAOBLMNA
SCHEMBL4842902 0.74 PIK3CA (0.51) CES2CES1
SCHEMBL1515717 0.73 MAPT (0.55) CES2CES1MEN1KMT2ASMN1; SMN2
SCHEMBL10373277 0.73 CES2 (0.58) CES2CES1MAOBCA1CA2
SCHEMBL4848895 0.73 CES2 (0.81) CES2CES1CA1CA2CA4
SCHEMBL6863580 0.72 CES2 (0.46) CES2CES1MAPK14MEN1KMT2A
SCHEMBL4848612 0.72 PTPN1 (0.54) CES2CES1MAPK14MEN1KMT2A
SCHEMBL15191638 0.72 MAPK14 (0.47) CES2CES1MAPK14MEN1KMT2A

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
US-7439360-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-10-21 US disclosed
US-7439360-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-10-21 US disclosed
US-7439360-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-10-21 US disclosed
EP-1802605-A1 IMIDAZOLE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Amgen, Inc (US) 2007-07-04 EP disclosed
WO-2006044527-A1 IMIDAZOLE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS AMGEN INC. (US) 2006-04-27 WO disclosed
US-20060084640-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2006-04-20 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-20060084640-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 CES2 4307/4885CES1 3870/4885MAPK14 756/4885

“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.