SCHEMBL17523871

SCHEMBL17523871

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

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
ALDH1A1 P00352 1/20 0.37
RIPK1 Q13546 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
SCHEMBL17523869 1.00 LMNA (0.46) LMNAALDH1A1RIPK1
SCHEMBL17523948 0.98 LMNA (0.50) LMNAALDH1A1
SCHEMBL17523950 0.98 LMNA (0.50) LMNAALDH1A1
SCHEMBL17523806 0.93 LMNA (0.43) LMNAALDH1A1RIPK1
SCHEMBL17523807 0.93 LMNA (0.43) LMNAALDH1A1RIPK1
SCHEMBL17523865 0.85 LMNA (0.45) LMNAALDH1A1RIPK1
SCHEMBL17524099 0.85 ALDH1A1 (0.40) LMNAALDH1A1
SCHEMBL17523867 0.85 LMNA (0.68) LMNAALDH1A1
SCHEMBL17523866 0.85 LMNA (0.45) LMNAALDH1A1RIPK1
SCHEMBL17524100 0.85 ALDH1A1 (0.40) LMNAALDH1A1

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 LMNA 3497/4885ALDH1A1 2376/4885RIPK1 2255/4885

“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.