SCHEMBL4005149

SCHEMBL4005149

CCCCOc1c(O)cc(C=O)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
ESR1 P03372 2/20 0.40
THRA P10827 2/20 0.39
THRB P10828 2/20 0.39
S1PR2 O95136 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
LPAR2 Q9HBW0 1/20 0.39
APP P05067 2/20 0.39
ALDH3A1 P30838 1/20 0.37
ALDH1A3 P47895 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
DPP4 P27487 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL5712342 0.83 ALDH1A1 (0.46) ALDH1A1L3MBTL1KMT2AMAPTHPGD
SCHEMBL14195844 0.83 S1PR2 (0.50) ALDH1A1L3MBTL1KMT2AMAPTHPGD
SCHEMBL21705960 0.83 APP (0.46) ALDH1A1ESR1THRATHRBAPP
SCHEMBL4007449 0.81 ALDH1A1 (0.51) ALDH1A1L3MBTL1KMT2AMAPTHPGD
SCHEMBL565487 0.80 ALDH1A1 (0.50) ALDH1A1L3MBTL1KMT2AMAPTHPGD
SCHEMBL16610333 0.78 APP (0.36) ALDH1A1MAPTHPGDESR1THRA
SCHEMBL2808932 0.77 TPMT (0.54) ALDH1A1L3MBTL1KMT2AMAPTHPGD
SCHEMBL4005253 0.76 ALDH1A1 (0.59) ALDH1A1L3MBTL1KMT2AMAPTHPGD
SCHEMBL14195847 0.75 S1PR2 (0.53) ALDH1A1L3MBTL1KMT2AMAPTHPGD
SCHEMBL14195840 0.75 ALDH1A1 (0.45) ALDH1A1HPGD

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 6 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
EP-1383736-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2006-04-19 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
EP-1383736-A2 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2004-01-28 EP disclosed
WO-2003002522-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-01-09 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-20040106795-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 ALDH1A1 4367/4885L3MBTL1 1436/4885KMT2A 3776/4885

“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.