SCHEMBL5535680

SCHEMBL5535680

CCCCCC(CC=O)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.40
CA1 P00915 1/20 0.40
ZDHHC7 Q9NXF8 1/20 0.38
CTSK P43235 4/20 0.37
GRIK1 P39086 2/20 0.37
GRIK2 Q13002 2/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
BIRC2 Q13490 1/20 0.35
MAPK1 P28482 1/20 0.35
SMPD1 P17405 3/20 0.35
TRPA1 O75762 1/20 0.35
DDAH1 O94760 1/20 0.35
GAPDH P04406 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL17871148 0.90 HDAC1 (0.38) CA2CA1CTSKGRIK1GRIK2
SCHEMBL27695836 0.85 TSHR (0.42) CA2CA1ZDHHC7CTSKGRIK1
SCHEMBL28664768 0.84 CA2 (0.50) CA2CA1ZDHHC7GRIK1GRIK2
SCHEMBL7367485 0.84 CA2 (0.50) CA2CA1ZDHHC7GRIK1GRIK2
SCHEMBL28380817 0.84 CA2 (0.50) CA2CA1ZDHHC7GRIK1GRIK2
SCHEMBL24360474 0.84 CA2 (0.50) CA2CA1ZDHHC7CTSKGRIK1
SCHEMBL18597124 0.84 CA2 (0.50) CA2CA1ZDHHC7GRIK1GRIK2
SCHEMBL18597120 0.84 CA2 (0.50) CA2CA1ZDHHC7GRIK1GRIK2
SCHEMBL22880855 0.84 CA2 (0.50) CA2CA1ZDHHC7GRIK1GRIK2
SCHEMBL28381502 0.84 CA2 (0.50) CA2CA1ZDHHC7GRIK1GRIK2

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-20070191406-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2007-08-16 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-20070191406-A1 Heterocyclic antiviral compounds CCR5, CX3CR1, CXCR1 CA2 4464/4885CA1 4663/4885ZDHHC7 1362/4885

“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.