SCHEMBL4867759

SCHEMBL4867759

COC(=O)C1(C(=N)OCc2ccccc2)CCC(C)(C)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
CYP3A4 P08684 2/20 0.42
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL6233007 0.89 ALDH1A1 (0.46) ALDH1A1DDB1CRBNMAPK1L3MBTL1
SCHEMBL6231440 0.89 ALDH1A1 (0.46) ALDH1A1DDB1CRBNMAPK1L3MBTL1
SCHEMBL6234929 0.88 CTSL (0.46) ALDH1A1DDB1CRBN
SCHEMBL6235063 0.88 CTSL (0.46) ALDH1A1DDB1CRBN
SCHEMBL6236356 0.84 GAA (0.43) ALDH1A1CYP3A4DDB1CRBNTSHR
SCHEMBL4864647 0.84 GAA (0.43) ALDH1A1CYP3A4DDB1CRBNTSHR
SCHEMBL25317301 0.83 ALDH1A1 (0.51) ALDH1A1DDB1CRBNMAPK1L3MBTL1
SCHEMBL6236539 0.82 ALDH1A1 (0.40) ALDH1A1CYP3A4DDB1CRBNSMN1; SMN2
SCHEMBL4867930 0.82 ALDH1A1 (0.40) ALDH1A1CYP3A4DDB1CRBNSMN1; SMN2
SCHEMBL4869754 0.81 CYP3A4 (0.42) ALDH1A1CYP3A4TSHRCASP1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332485-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORP (US) 2008-02-19 US disclosed
US-20060160802-A1 Peptide deformylase inhibitors GLAXO GROUP LIMITED 2006-07-20 US disclosed
WO-2005005456-A2 PEPTIDE DEFORMYLASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-01-20 WO 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-20060160802-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 ALDH1A1 4302/4885CYP3A4 4649/4885DDB1 249/4885

“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.