SCHEMBL4005253

SCHEMBL4005253

CCCCOc1c(Cl)cc(C=O)cc1OCC(=O)OCC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.59
L3MBTL1 Q9Y468 3/20 0.59
TDP1 Q9NUW8 1/20 0.51
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
HPGD P15428 2/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
PTPN7 P35236 1/20 0.42
PTPN12 Q05209 1/20 0.42
PTPN22 Q9Y2R2 1/20 0.42
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.40
CASP1 P29466 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PKM P14618 2/20 0.40

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
SCHEMBL5712322 0.98 ALDH1A1 (0.57) ALDH1A1L3MBTL1TDP1KMT2AMEN1
SCHEMBL5712324 0.88 ALDH1A1 (0.47) ALDH1A1L3MBTL1TDP1KMT2AMEN1
SCHEMBL13858488 0.84 ALDH1A1 (0.63) ALDH1A1L3MBTL1KMT2AMEN1MAPT
SCHEMBL13858951 0.83 ALDH1A1 (0.60) ALDH1A1L3MBTL1TDP1KMT2AMEN1
SCHEMBL4003957 0.81 ALDH1A1 (0.45) ALDH1A1L3MBTL1TDP1KMT2AMEN1
SCHEMBL4007449 0.80 ALDH1A1 (0.51) ALDH1A1L3MBTL1TDP1KMT2AMEN1
SCHEMBL4005149 0.76 ALDH1A1 (0.46) ALDH1A1L3MBTL1KMT2AMEN1HPGD
SCHEMBL14195847 0.76 S1PR2 (0.53) ALDH1A1L3MBTL1TDP1KMT2AMEN1
SCHEMBL29954609 0.76 ALDH1A1 (0.78) ALDH1A1L3MBTL1TDP1KMT2AMEN1
SCHEMBL10497234 0.75 FDPS (0.46) ALDH1A1L3MBTL1TDP1KMT2AMEN1

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
EP-1383736-B1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-06-17 EP disclosed
US-6967220-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2005-11-22 US disclosed
US-20040106795-A1 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2004-06-03 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-20040106795-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 ALDH1A1 4367/4885L3MBTL1 1436/4885TDP1 473/4885

“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.