SCHEMBL4389995

SCHEMBL4389995

CC(C)([CH]CO)CCCO

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32

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
SCHEMBL28470958 0.76
SCHEMBL26622164 0.74
SCHEMBL27856493 0.74
SCHEMBL1859713 0.73 TSHR (0.52) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL11375964 0.72 MEN1 (0.35) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL29439973 0.72 CYP4F2 (0.39) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL27905787 0.71
SCHEMBL4271852 0.69 SMN1; SMN2 (0.40) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL27576178 0.69 ALDH1A1 (0.38) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL14978154 0.67 SMN1; SMN2 (0.44) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1

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-20090306041-A1 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-12-10 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-20090306041-A1 Inhibitors of Bruton's tyrosine kinase BTK, SYK, LYN SMN1; SMN2 3464/4885LMNA 3433/4885ALDH1A1 4646/4885

“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.