SCHEMBL17301129

SCHEMBL17301129

CCN(CC)C(=O)OC[n+]1cccc(CC(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
HSP90AA1 P07900 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RAD52 P43351 1/20 0.36
APAF1 O14727 1/20 0.36
USP2 O75604 1/20 0.36
XBP1 P17861 1/20 0.36
HTT P42858 1/20 0.36
BLM P54132 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
FAAH O00519 1/20 0.34
GGPS1 O95749 3/20 0.33

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
SCHEMBL17301119 0.84 FAAH (0.35) LMNABLMFAAH
SCHEMBL17301110 0.82 ALDH1A1 (0.40) LMNAALDH1A1BLMFAAH
SCHEMBL17301116 0.81 ALOX15 (0.37) LMNAHTTMEN1KMT2AFAAH
SCHEMBL17301122 0.80 FAAH (0.36) ALDH1A1USP2MEN1KMT2AFAAH
SCHEMBL17301109 0.79 PRKCA (0.34) LMNAFAAH
SCHEMBL17301113 0.78 KMT2A (0.45) LMNAALDH1A1SMN1; SMN2USP2HTT
SCHEMBL17301126 0.77 ALDH1A1 (0.38) LMNAALDH1A1USP2HTTMEN1
SCHEMBL17301131 0.75 SMN1; SMN2 (0.40) LMNAALDH1A1SMN1; SMN2HTTNPSR1
SCHEMBL17301127 0.75 TDP1 (0.48) LMNAALDH1A1USP2HTTKMT2A
SCHEMBL17301123 0.74 TAAR1 (0.34) LMNAFAAH

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-20150344426-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2015-12-03 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-20150344426-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 LMNA 4409/4885HSP90AA1 608/4885ALDH1A1 592/4885

“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.