SCHEMBL9940416

SCHEMBL9940416

C=CCCOc1c(F)cccc1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 5/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 1/20 0.35
SCN8A Q9UQD0 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
SLC6A2 P23975 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM1A O60341 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
RECQL P46063 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
SCHEMBL31267632 0.89 LPAR3 (0.38) KDM4EL3MBTL1ALDH1A1KMT2ASCN8A
SCHEMBL16213529 0.79 MAPT (0.39) KDM4EL3MBTL1SMN1; SMN2
SCHEMBL15763372 0.78 KDM4E (0.53) KDM4EL3MBTL1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5320829 0.77 SCN8A (0.36) L3MBTL1KMT2ASCN8ASMN1; SMN2CES2
SCHEMBL24096249 0.74 TAAR1 (0.48) KDM4ESCN8ASMN1; SMN2CES2CES1
SCHEMBL10457903 0.74 SCN8A (0.37) L3MBTL1KMT2ASCN8ASMN1; SMN2CES2
SCHEMBL3267322 0.72 ALDH1A1 (0.46) KDM4EL3MBTL1ALDH1A1KMT2ASCN8A
SCHEMBL15295193 0.72 L3MBTL1 (0.41) L3MBTL1ALDH1A1KMT2ASCN8ASMN1; SMN2
SCHEMBL3119777 0.72 SCN8A (0.36) L3MBTL1KMT2ASCN8ASMN1; SMN2CES2
Hydrochloric Acid SCHEMBL7484053 0.72 KDM4E (0.52) KDM4ESCN8ASMN1; SMN2KDM1AMAOA

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
EP-2651219-A2 FUNGICIDAL AZOCYCLIC AMIDES E.I. Du Pont De Nemours And Company (US) 2013-10-23 EP disclosed
US-20130261154-A1 FUNGICIDAL AZOCYCLIC AMIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-10-03 US disclosed
WO-2012082580-A2 FUNGICIDAL AZOCYCLIC AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-06-21 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 (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-20130261154-A1 FUNGICIDAL AZOCYCLIC AMIDES CYP51A1, Q6ZSR9, NOX1 KDM4E 399/4885L3MBTL1 3936/4885ALDH1A1 1346/4885

“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.