SCHEMBL4174412

SCHEMBL4174412

Fc1ccc(C=CCc2[c]c(C(F)(F)F)ccn2)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.35
NFE2L2 Q16236 2/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31
HTR2A P28223 1/20 0.31
KCNH2 Q12809 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4168484 0.89 CHRNB2 (0.39) CYP1A1CYP1B1KCNH2PTGS1
SCHEMBL4175680 0.88 CHRNA7 (0.32) KDM4EALDH1A1
SCHEMBL4168497 0.88 DCTPP1 (0.35) NFE2L2KCNH2KDM4EGLAL3MBTL1
SCHEMBL4177697 0.87 PDE4B (0.30)
SCHEMBL4167660 0.84 P4HB (0.36) KDM4EALDH1A1GLAMAPT
SCHEMBL4177913 0.84 GRIK1 (0.37) KCNH2KDM4EALDH1A1GAAMAPT
SCHEMBL4168519 0.83 RELA (0.41) CYP1A1CYP1B1PTGS2KDM4EMEN1
SCHEMBL4174113 0.83 NFE2L2 (0.36) NFE2L2
SCHEMBL4167639 0.82 CHRNB2 (0.32)
SCHEMBL4168514 0.82 TRPA1 (0.30) KMT2A

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
US-20140179921-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2014-06-26 US disclosed
US-20130197029-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2013-08-01 US disclosed
US-8338443-B2 Chemical compounds SYNGENTA CROP PROTECTION LLC (US) 2012-12-25 US disclosed
US-20090118295-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC (US) 2009-05-07 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 (3 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-20130197029-A1 CHEMICAL COMPOUNDS MRM1, H1-0, RO60 GRM4 3590/4885NFE2L2 1211/4885CYP1A1 276/4885
US-20140179921-A1 CHEMICAL COMPOUNDS H1-0, REL, ZYX GRM4 3456/4885NFE2L2 169/4885CYP1A1 84/4885
US-20090118295-A1 CHEMICAL COMPOUNDS MRM1, MNS1, CHRM1 GRM4 3860/4885NFE2L2 1014/4885CYP1A1 132/4885

“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.