SCHEMBL5197692

SCHEMBL5197692

CCCCC(Br)CC(=O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.41
MAPK1 P28482 1/20 0.41
CA1 P00915 4/20 0.39
LCK P06239 1/20 0.38
PPARD Q03181 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
ZDHHC7 Q9NXF8 1/20 0.35
GPR84 Q9NQS5 4/20 0.33
FDPS P14324 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PDF Q9HBH1 1/20 0.33

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
SCHEMBL5194518 0.94 LCK (0.46) CA2CA1LCKPPARDZDHHC20
SCHEMBL5194501 0.92 LCK (0.48) CA2LCKPPARDZDHHC20ZDHHC2
SCHEMBL5196268 0.92 LCK (0.48) CA2LCKPPARDZDHHC20ZDHHC2
SCHEMBL5194030 0.92 LCK (0.48) CA2LCKPPARDZDHHC20ZDHHC2
SCHEMBL5196272 0.92 LCK (0.48) CA2LCKPPARDZDHHC20ZDHHC2
SCHEMBL5197011 0.88 CHRM1 (0.34) CA2MAPK1LCKPPARDZDHHC20
SCHEMBL5196267 0.79 HSD11B1 (0.31)
SCHEMBL6464981 0.77 GPR84 (0.50) CA2MAPK1LCKPPARDZDHHC20
SCHEMBL23875997 0.76 CA2 (0.41) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL5195983 0.76 CA2 (0.41) CA2MAPK1CA1SLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1403260-B1 Optically active epoxy compounds and processes for their production TOSOH CORP (JP) 2007-08-08 EP disclosed
US-7169944-B2 Optically active epoxy compounds and processes for their production TOSOH CORPORATION (JP) 2007-01-30 US disclosed
US-20040063979-A1 Optically active epoxy compounds and processes for their production TOSOH CORPORATION (JP) 2004-04-01 US disclosed
EP-1403260-A2 Optically active epoxy compounds and processes for their production Tosoh Corporation (JP) 2004-03-31 EP 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-20040063979-A1 Optically active epoxy compounds and processes for their production CYP51A1, CYP11B1, PTGES CA2 4225/4885MAPK1 297/4885CA1 4677/4885

“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.