SCHEMBL4516165

SCHEMBL4516165

COC(C#N)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.41
ALDH1A1 P00352 3/20 0.38
LTA4H P09960 2/20 0.35
TSHR P16473 2/20 0.34
TRPA1 O75762 1/20 0.34
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
PBRM1 Q86U86 1/20 0.34
ANPEP P15144 1/20 0.34
KDM4E B2RXH2 1/20 0.33
SLC6A4 P31645 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 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
SCHEMBL30720042 0.87 TSHR (0.39) CA4ALDH1A1LTA4HTSHRTRPA1
SCHEMBL27482970 0.79 CA4 (0.41) CA4LTA4HTSHRPPARGPPARA
SCHEMBL947518 0.79 CA4 (0.41) CA4ALDH1A1LTA4HTSHRPPARG
SCHEMBL28141131 0.79 LTA4H (0.37) CA4ALDH1A1LTA4HTSHRPPARG
SCHEMBL4306370 0.74 KDM4E (0.39) CA4ALDH1A1LTA4HTSHRTRPA1
SCHEMBL509577 0.73 TSHR (0.39) CA4ALDH1A1LTA4HTSHRTRPA1
SCHEMBL3906412 0.70 CA4 (0.50) CA4LTA4HTSHRPPARGPPARA
SCHEMBL2356964 0.70 CA4 (0.50) CA4ALDH1A1LTA4HTSHRKDM4E
SCHEMBL3961288 0.70 TSHR (0.37) CA4ALDH1A1LTA4HTSHRTRPA1
SCHEMBL11388127 0.70 TRPA1 (0.46) CA4ALDH1A1LTA4HTSHRTRPA1

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-20090318481-A1 Potentiators Of Glutamate Receptors AICHER THOMAS DANIEL 2009-12-24 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 (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-20090318481-A1 Potentiators Of Glutamate Receptors GRIK1, GRIK2, GRIK4 CA4 2337/4885ALDH1A1 1737/4885LTA4H 1319/4885

“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.