SCHEMBL2120551

SCHEMBL2120551

CCCCCCCCCCCCC(CCCC)C(=O)OCC

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.57
CPB2 Q96IY4 2/20 0.56
CA1 P00915 2/20 0.52
ZDHHC7 Q9NXF8 1/20 0.48
MAPK1 P28482 1/20 0.47
GRIK1 P39086 2/20 0.46
GRIK2 Q13002 2/20 0.46
GPR84 Q9NQS5 4/20 0.45
FFAR1 O14842 1/20 0.45
MAPT P10636 1/20 0.44
LCK P06239 1/20 0.44
PPARD Q03181 1/20 0.44
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43

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
SCHEMBL28793337 1.00 CA2 (0.57) CA2CPB2CA1ZDHHC7MAPK1
SCHEMBL18143477 1.00 CA2 (0.57) CA2CPB2CA1ZDHHC7MAPK1
SCHEMBL625957 1.00 CA2 (0.57) CA2CPB2CA1ZDHHC7MAPK1
SCHEMBL9000340 1.00 CA2 (0.57) CA2CPB2CA1ZDHHC7MAPK1
SCHEMBL3312232 1.00 CA2 (0.57) CA2CPB2CA1ZDHHC7MAPK1
SCHEMBL25341592 0.98 CPB2 (0.58) CA2CPB2CA1ZDHHC7GRIK1
SCHEMBL5516547 0.98 CPB2 (0.58) CA2CPB2CA1ZDHHC7GRIK1
SCHEMBL18531126 0.98 CPB2 (0.58) CA2CPB2CA1ZDHHC7GRIK1
SCHEMBL19148651 0.98 CPB2 (0.58) CA2CPB2CA1ZDHHC7GRIK1
SCHEMBL5580131 0.98 CPB2 (0.58) CA2CPB2CA1ZDHHC7GRIK1

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-20120093896-A1 USE OF NANODISPERSIONS TO PROTECT WATER-SOLUBLE INGREDIENTS IN COSMETIC END FORMULATIONS CIBA CORPORATION (US) 2012-04-19 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-20120093896-A1 USE OF NANODISPERSIONS TO PROTECT WATER-SOLUBLE INGREDIENTS IN COSMETIC END FORMULATIONS CUTA, PROC, RBP1 CA2 2253/4885CPB2 3119/4885CA1 4037/4885

“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.