SCHEMBL6604777

SCHEMBL6604777

CC(C)(O)C#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.38
AR P10275 1/20 0.36
MAPT P10636 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
MGLL Q99685 1/20 0.34
ASIC3 Q9UHC3 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAP3K14 Q99558 2/20 0.32
PAK4 O96013 3/20 0.32
PIKFYVE Q9Y2I7 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
PAK1 Q13153 1/20 0.32
PKN1 Q16512 1/20 0.32
RAPGEF3 O95398 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
LMNA P02545 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
SCHEMBL16503534 0.83 CES2 (0.35) CES2ARMAPTTAS2R14MGLL
SCHEMBL7997120 0.74 TAS2R14 (0.47) CES2MAPTTAS2R14RAPGEF4
SCHEMBL19720165 0.72 GABRA1 (0.36) ARMAPTASIC3MAP3K14PAK4
SCHEMBL13692781 0.71 ASIC3 (0.34) MAPTASIC3KMT2AMAP3K14PAK4
SCHEMBL2858168 0.71 MAPT (0.38) MAPTASIC3MEN1KMT2AMAP3K14
SCHEMBL4564009 0.71 CES2 (0.48) CES2ARMAPTMEN1KMT2A
SCHEMBL7216715 0.71 CES2 (0.48) CES2ARMAPTMEN1KMT2A
SCHEMBL12391039 0.71 ASIC3 (0.50) MAPTASIC3KMT2AMAP3K14PIKFYVE
SCHEMBL5540303 0.70 CES2 (0.38) CES2MAPTTAS2R14RAPGEF4
SCHEMBL19385736 0.69 GABRA1 (0.34) CES2MAPTTAS2R14RAPGEF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1219173-B1 INSECTICIDES AND ACARICIDES AGRO KANESHO CO LTD (JP) 2004-06-16 EP disclosed
US-20030191171-A1 Pyrazolyl compound AGRO-KANESHO CO., LTD. (JP) 2003-10-09 US disclosed
US-20020156115-A1 Insecticidal and acaricidal composition, and methods of using the same AGRO-KANESHO CO., LTD. (JP) 2002-10-24 US disclosed
EP-1219173-A1 INSECTICIDAL AND ACARICIDAL AGENTS Agro-Kanesho Co., Ltd. (JP) 2002-07-03 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 (2 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-20020156115-A1 Insecticidal and acaricidal composition, and methods of using the same GSTO1, CBR3, CBR1 CES2 501/4885AR 1360/4885MAPT 4877/4885
US-20030191171-A1 Pyrazolyl compound GSTO1, CBR3, GSTM1 CES2 963/4885AR 923/4885MAPT 4861/4885

“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.