SCHEMBL116492

SCHEMBL116492

CC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
USP2 O75604 1/20 0.34
CTSK P43235 1/20 0.34

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
SCHEMBL20629743 1.00 ALDH1A1 (0.37) ALDH1A1HSD17B10CHRM2CHRM1CHRM3
SCHEMBL115092 0.83 ALDH1A1 (0.34) ALDH1A1HSD17B10CHRM2CHRM1CHRM3
SCHEMBL139800 0.82 DRD2 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL116370 0.81 CHRM2 (0.42) HSD17B10CHRM2CHRM1CHRM3HPGD
SCHEMBL115203 0.81 CHRM2 (0.42) HSD17B10CHRM2CHRM1CHRM3HPGD
SCHEMBL374638 0.81 CHRM2 (0.42) HSD17B10CHRM2CHRM1CHRM3HPGD
SCHEMBL25086450 0.80 ALDH1A1 (0.39) ALDH1A1HSD17B10CHRM2CHRM1CHRM3
SCHEMBL823030 0.80 CHRM2 (0.41) HSD17B10CHRM2CHRM1CHRM3HPGD
SCHEMBL23394548 0.80 ALDH1A1 (0.39) ALDH1A1HSD17B10CHRM2CHRM1CHRM3
SCHEMBL13216511 0.80 CHRM2 (0.41) HSD17B10CHRM2CHRM1CHRM3HPGD

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-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 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-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS RECQL, BLVRB, NQO2 ALDH1A1 1678/4885HSD17B10 1844/4885CHRM2 915/4885

“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.