SCHEMBL17523916

SCHEMBL17523916

COC(=O)C(CCCCCCC(C)(C)C)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
ABCB1 P08183 1/20 0.33
HTT P42858 1/20 0.33
FFAR1 O14842 1/20 0.32
CPT2 P23786 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
BIRC2 Q13490 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CPB2 Q96IY4 1/20 0.31
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31

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
SCHEMBL17523840 1.00 ZDHHC7 (0.42) ZDHHC7CA1CA2ACACBACACA
SCHEMBL17523790 0.98 CA1 (0.41) ZDHHC7CA1CA2ACACBACACA
SCHEMBL5694365 0.85 ZDHHC7 (0.52) ZDHHC7CA1CA2USP2LMNA
SCHEMBL11648130 0.83 ZDHHC7 (0.48) ZDHHC7CA1CA2USP2LMNA
SCHEMBL15183517 0.83 TDP1 (0.45) ACACBACACACYP4F2CYP4A11HTT
SCHEMBL15183514 0.83 TDP1 (0.45) ACACBACACACYP4F2CYP4A11HTT
SCHEMBL28405498 0.81 CA1 (0.40) ZDHHC7CA1CA2ACACBACACA
SCHEMBL15183511 0.81 TDP1 (0.46) CYP4F2CYP4A11HTTTDP1CPB2
SCHEMBL15183515 0.79 ACACB (0.48) CA2ACACBACACAFFAR1CPT2
SCHEMBL15183512 0.79 ACACB (0.48) CA2ACACBACACAFFAR1CPT2

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 ZDHHC7 425/4885CA1 4107/4885CA2 1053/4885

“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.