SCHEMBL4864688

SCHEMBL4864688

N=C(OCc1ccccc1)C1(C(=O)O)CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
LMNA P02545 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41

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
SCHEMBL4868005 1.00 ALDH1A1 (0.45) ALDH1A1DDB1CRBNMAPK1L3MBTL1
SCHEMBL4863360 0.98 ALDH1A1 (0.46) ALDH1A1DDB1CRBNMAPK1L3MBTL1
SCHEMBL6234929 0.87 CTSL (0.46) ALDH1A1DDB1CRBNCTSLCTSB
SCHEMBL6235063 0.87 CTSL (0.46) ALDH1A1DDB1CRBNCTSLCTSB
SCHEMBL6233007 0.85 ALDH1A1 (0.46) ALDH1A1DDB1CRBNMAPK1L3MBTL1
SCHEMBL6231440 0.85 ALDH1A1 (0.46) ALDH1A1DDB1CRBNMAPK1L3MBTL1
SCHEMBL4429190 0.84 DDB1 (0.50) ALDH1A1DDB1CRBNMAPK1L3MBTL1
SCHEMBL595870 0.83 DDB1 (0.51) ALDH1A1DDB1CRBNMAPK1L3MBTL1
SCHEMBL7228727 0.81 DDB1 (0.52) ALDH1A1DDB1CRBNMAPK1L3MBTL1
SCHEMBL3555789 0.80 DDB1 (0.51) ALDH1A1DDB1CRBNMAPK1L3MBTL1

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 4302/4885DDB1 249/4885CRBN 4511/4885

“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.