SCHEMBL2795423

SCHEMBL2795423

O=C(CCl)c1cc(F)c(F)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.56
CES1 P23141 4/20 0.56
GSK3B P49841 7/20 0.46
ALDH1A1 P00352 4/20 0.46
HIF1A Q16665 3/20 0.46
MAPK1 P28482 2/20 0.46
TRPA1 O75762 1/20 0.46
TP53 P04637 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
NPC1 O15118 1/20 0.36
TTR P02766 1/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL18355570 0.83 GSK3B (0.43) CES2CES1GSK3BALDH1A1HIF1A
SCHEMBL3093741 0.79 CES2 (0.54) CES2CES1GSK3BALDH1A1HIF1A
SCHEMBL10373277 0.79 CES2 (0.58) CES2CES1CA1CA2CA4
SCHEMBL247898 0.78 CES2 (0.59) CES2CES1GSK3BALDH1A1HIF1A
SCHEMBL29464070 0.78 CES2 (0.59) CES2CES1GSK3BALDH1A1HIF1A
SCHEMBL8755885 0.78 GSK3B (0.43) GSK3BALDH1A1HIF1AMAPK1TRPA1
SCHEMBL3547368 0.77 CES2 (0.56) CES2CES1ALDH1A1POLBMAPT
SCHEMBL1849394 0.77 CES2 (0.56) CES2CES1GSK3BCA1CA2
SCHEMBL5455143 0.75 KDM4E (0.49) CES2CES1GSK3BALDH1A1HIF1A
Hydrochloric Acid SCHEMBL3941502 0.75 CES2 (0.55) CES2CES1GSK3BALDH1A1HIF1A

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-20120225777-A1 Azolylmethyloxiranes, Their Use for Controlling Phytopathogenic Fungi and Compositions Comprising Them BASF SE (DE) 2012-09-06 US disclosed
US-20100167924-A1 Azolylmethyloxiranes, Their Use for Controlling Phytopathogenic Fungi and Compositions Comprising Them BASF SE (DE) 2010-07-01 US disclosed
EP-2035414-B1 AZOLYLMETHYLOXIRANES, THEIR USE FOR CONTROLLING PHYTOPATHOGENIC FUNGI AND COMPOSITIONS COMPRISING THEM BASF SE (DE) 2009-12-16 EP disclosed
WO-2009071450-A1 FUNGICIDAL MIXTURE BASF SE (DE) 2009-06-11 WO disclosed
EP-2035414-A1 AZOLYLMETHYLOXIRANES, THEIR USE FOR CONTROLLING PHYTOPATHOGENIC FUNGI AND COMPOSITIONS COMPRISING THEM BASF SE (DE) 2009-03-18 EP disclosed
WO-2007147769-A1 AZOLYLMETHYLOXIRANES, THEIR USE FOR CONTROLLING PHYTOPATHOGENIC FUNGI AND COMPOSITIONS COMPRISING THEM BASF SE (DE) 2007-12-27 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 (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-20100167924-A1 Azolylmethyloxiranes, Their Use for Controlling Phytopathogenic Fungi and Compositions Comprising Them PFAS, CBR3, CBR1 CES2 2162/4885CES1 1067/4885GSK3B 4254/4885
US-20120225777-A1 Azolylmethyloxiranes, Their Use for Controlling Phytopathogenic Fungi and Compositions Comprising Them PFAS, CBR3, CBR1 CES2 2175/4885CES1 1070/4885GSK3B 4291/4885

“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.