SCHEMBL5936799

SCHEMBL5936799

C=CCC(C(=O)O)C(F)(F)CC

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.35
GRIK2 Q13002 2/20 0.35
CYP2C19 P33261 1/20 0.34
CPA1 P15085 1/20 0.34

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
SCHEMBL6202232 0.79 GRIK1 (0.39) GRIK1GRIK2CYP2C19CPA1
SCHEMBL3153113 0.78 GRIK1 (0.36) GRIK1GRIK2CYP2C19CPA1
SCHEMBL28221463 0.77 CYP2D6 (0.34) CYP2C19
SCHEMBL17757012 0.75 GRIK1 (0.39) GRIK1GRIK2CYP2C19CPA1
SCHEMBL9785440 0.75 GRIK1 (0.39) GRIK1GRIK2CYP2C19CPA1
SCHEMBL5420620 0.75 GRIK1 (0.39) GRIK1GRIK2CYP2C19CPA1
SCHEMBL5936759 0.74 CHRM1 (0.44) GRIK1GRIK2
SCHEMBL7600439 0.73 GRIK1 (0.33) GRIK1GRIK2CYP2C19CPA1
SCHEMBL8731754 0.72 GRIK1 (0.37) GRIK1GRIK2CYP2C19CPA1
SCHEMBL7166143 0.72 GRIK1 (0.37) GRIK1GRIK2CYP2C19CPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060223888-A1 Valproic acid analogues and pharmaceutical composition thereof THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2006-10-05 US claimed

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-20060223888-A1 Valproic acid analogues and pharmaceutical composition thereof MALT1, HDAC11, GABRA6 GRIK1 144/4885GRIK2 90/4885CYP2C19 152/4885

“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.