SCHEMBL16019092

SCHEMBL16019092

CC(C)C(=O)OCOC(=O)CC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MIF P14174 1/20 0.31
MMP8 P22894 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
SCHEMBL681184 0.81 ELANE (0.34) LMNAALDH1A1
SCHEMBL181730 0.80 MIF (0.32) LMNAMIFMMP8
SCHEMBL18925016 0.77 ALDH1A1 (0.40) LMNAALDH1A1MIF
SCHEMBL23125481 0.76 ALDH1A1 (0.30) ALDH1A1
SCHEMBL6892214 0.76 TSHR (0.43) LMNAALDH1A1MMP8
SCHEMBL394513 0.76 LMNA (0.36) LMNAALDH1A1MIF
SCHEMBL10253729 0.76 PRKCA (0.42) ALDH1A1MMP8
SCHEMBL12044962 0.75 NAAA (0.41) LMNAALDH1A1
SCHEMBL15694063 0.74 DGKA (0.39) LMNAALDH1A1MIF
SCHEMBL8560408 0.74 TSHR (0.34) ALDH1A1

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-20140256658-A1 Antibiotic Conjugates ALLERGAN, INC. (US) 2014-09-11 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-20140256658-A1 Antibiotic Conjugates NAALAD2, DNPEP, ENGASE LMNA 3465/4885ALDH1A1 641/4885MIF 3573/4885

“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.