SCHEMBL9969977

SCHEMBL9969977

CC(=O)CO/N=C/C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 1/20 0.32

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
SCHEMBL12269632 0.73
SCHEMBL14667543 0.73
SCHEMBL12269718 0.70
SCHEMBL9969980 0.68 ALDH1A1 (0.31)
SCHEMBL12269917 0.68 THRB (0.34)
SCHEMBL12705075 0.67 SMN1; SMN2 (0.54)
SCHEMBL12269634 0.67 CES2 (0.39)
SCHEMBL11253825 0.66
SCHEMBL20104790 0.66 ATM (0.56) GPR55
SCHEMBL19930269 0.65 ALDH1A1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835427-B2 Fungicidal heterocyclic compounds E I DU PONT DE NEMOURS AND COMPANY (US) 2014-09-16 US disclosed
US-8722678-B2 Fungicidal oximes and hydrazones E I DU PONT DE NEMOURS AND COMPANY (US) 2014-05-13 US disclosed
US-20130261154-A1 FUNGICIDAL AZOCYCLIC AMIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-10-03 US disclosed
US-20130030002-A1 FUNGICIDAL OXIMES AND HYDRAZONES E I DUPONT DE NEMOURS AND COMPANY (US) 2013-01-31 US disclosed
US-20120309752-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-06 US disclosed
WO-2012082580-A2 FUNGICIDAL AZOCYCLIC AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-06-21 WO disclosed
WO-2011146182-A1 FUNGICIDAL OXIMES AND HYDRAZONES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-11-24 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 (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-20130261154-A1 FUNGICIDAL AZOCYCLIC AMIDES CYP51A1, Q6ZSR9, NOX1 GPR55 3106/4885
US-20120309752-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS CYP1B1, NOX3, CYP1A1 GPR55 4454/4885
US-20130030002-A1 FUNGICIDAL OXIMES AND HYDRAZONES NOX1, QSOX1, XDH GPR55 3446/4885

“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.