SCHEMBL17524099

SCHEMBL17524099

CC[C@@H](CCCCO)CCC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.35
CA2 P00918 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
CYP3A4 P08684 1/20 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
SCHEMBL17524100 1.00 ALDH1A1 (0.40) ALDH1A1LMNACA2SMN1; SMN2TSHR
SCHEMBL17524175 0.98 LMNA (0.39) ALDH1A1LMNACA2SMN1; SMN2TSHR
SCHEMBL17524176 0.98 LMNA (0.39) ALDH1A1LMNACA2SMN1; SMN2TSHR
SCHEMBL17524031 0.94 ALDH1A1 (0.41) ALDH1A1LMNACA2TSHRTDP1
SCHEMBL17524030 0.94 ALDH1A1 (0.41) ALDH1A1LMNACA2TSHRTDP1
SCHEMBL17523869 0.85 LMNA (0.46) ALDH1A1LMNA
SCHEMBL17523871 0.85 LMNA (0.46) ALDH1A1LMNA
SCHEMBL1099616 0.84 ALDH1A1 (0.52) ALDH1A1LMNACA2SMN1; SMN2TSHR
SCHEMBL17523950 0.83 LMNA (0.50) ALDH1A1LMNATSHRHSD17B10MEN1
SCHEMBL17523948 0.83 LMNA (0.50) ALDH1A1LMNATSHRHSD17B10MEN1

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 ALDH1A1 2376/4885LMNA 3497/4885CA2 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.