SCHEMBL1987669

SCHEMBL1987669

C[C](C)c1ncccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.43
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
CTNNB1 P35222 2/20 0.41
WNT3A P56704 2/20 0.41
EPHX2 P34913 1/20 0.40
CNR2 P34972 1/20 0.40
GAA P10253 1/20 0.38
DHODH Q02127 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MEN1 O00255 1/20 0.38
TNF P01375 1/20 0.38
CXCL8 P10145 1/20 0.38
KMT2A Q03164 1/20 0.38
PAX8 Q06710 1/20 0.38
KLF5 Q13887 1/20 0.38
TRPV1 Q8NER1 4/20 0.37
TLR7 Q9NYK1 1/20 0.36
HSD11B1 P28845 1/20 0.36
SSTR4 P31391 1/20 0.36

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
SCHEMBL1859913 0.85 NFE2L2 (0.47) NFE2L2HCRTR1HCRTR2CTNNB1WNT3A
SCHEMBL30305710 0.82 KDM4E (0.44) NFE2L2HCRTR1HCRTR2CTNNB1WNT3A
SCHEMBL26674983 0.82 KDM4E (0.44) NFE2L2HCRTR1HCRTR2CTNNB1WNT3A
SCHEMBL286833 0.78 KDM4E (0.55) NFE2L2HCRTR1HCRTR2CTNNB1WNT3A
SCHEMBL5325529 0.78 CTNNB1 (0.46) NFE2L2HCRTR1HCRTR2CTNNB1WNT3A
SCHEMBL11919358 0.78 NFE2L2 (0.45) NFE2L2HCRTR1HCRTR2CTNNB1WNT3A
Hydrochloric Acid SCHEMBL3058112 0.77 KDM4E (0.53) NFE2L2HCRTR1HCRTR2CTNNB1WNT3A
SCHEMBL1570557 0.77 CTNNB1 (0.45) NFE2L2HCRTR1HCRTR2CTNNB1WNT3A
SCHEMBL3058108 0.77 CTNNB1 (0.45) NFE2L2HCRTR1HCRTR2CTNNB1WNT3A
SCHEMBL17984755 0.77 CNR2 (0.41) NFE2L2HCRTR1HCRTR2CTNNB1WNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140018377-A1 Aminopropenoates as Fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-16 US disclosed
US-8476197-B2 Aminopropenoates as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-02 US disclosed
US-20110152322-A1 Aminopropenoates as Fungicides BAYER CROPSCIENCE AG (DE) 2011-06-23 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 (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-20110152322-A1 Aminopropenoates as Fungicides AASDHPPT, DAO, AAAS NFE2L2 3979/4885HCRTR1 4003/4885HCRTR2 4536/4885
US-20140018377-A1 Aminopropenoates as Fungicides ACMSD, AASDHPPT, AAAS NFE2L2 3719/4885HCRTR1 4460/4885HCRTR2 4498/4885

“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.