SCHEMBL17524005

SCHEMBL17524005

CCCC[C@H](CCCC(C)(C)C)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.39
CA1 P00915 4/20 0.39
MAPK1 P28482 1/20 0.34
LPAR6 P43657 3/20 0.33
LPAR1 Q92633 3/20 0.33
LPAR4 Q99677 3/20 0.33
LPAR5 Q9H1C0 3/20 0.33
LPAR2 Q9HBW0 3/20 0.33
LPAR3 Q9UBY5 3/20 0.33
ALDH1A1 P00352 1/20 0.32
FDPS P14324 1/20 0.31
DNM1 Q05193 2/20 0.31
CTSK P43235 1/20 0.30
PRKD3 O94806 2/20 0.30
PRKCG P05129 2/20 0.30
PRKCB P05771 2/20 0.30
PRKCA P17252 2/20 0.30
PRKCH P24723 2/20 0.30
PRKCI P41743 2/20 0.30
PRKCE Q02156 2/20 0.30

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
SCHEMBL17524006 1.00 CA2 (0.39) CA2CA1MAPK1LPAR6LPAR1
SCHEMBL17524074 0.94 ZDHHC7 (0.36) CA2CA1LPAR6LPAR1LPAR4
SCHEMBL17524075 0.94 ZDHHC7 (0.36) CA2CA1LPAR6LPAR1LPAR4
SCHEMBL17524150 0.92 ZDHHC7 (0.39) CA2LPAR6LPAR1LPAR4LPAR5
SCHEMBL17524149 0.92 ZDHHC7 (0.39) CA2LPAR6LPAR1LPAR4LPAR5
SCHEMBL807201 0.83 DNM1 (0.41) CA2CA1LPAR6LPAR1LPAR4
SCHEMBL1659777 0.83
SCHEMBL17524009 0.83
SCHEMBL17524010 0.83
SCHEMBL17524078 0.81 CYP4F2 (0.32)

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-20160039879-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2016-02-11 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-20160039879-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 CA2 1053/4885CA1 4107/4885MAPK1 1050/4885

“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.