SCHEMBL4007449

SCHEMBL4007449

CCCCOc1c(Cl)cc(C=O)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.51
L3MBTL1 Q9Y468 4/20 0.51
MAPT P10636 6/20 0.47
KMT2A Q03164 3/20 0.47
HPGD P15428 3/20 0.47
POLB P06746 3/20 0.47
MEN1 O00255 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPK1 P28482 2/20 0.47
ALOX12 P18054 1/20 0.47
RECQL P46063 1/20 0.47
S1PR2 O95136 1/20 0.46
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
LPAR2 Q9HBW0 1/20 0.46
HTT P42858 3/20 0.46
FDPS P14324 1/20 0.45
CYP1A2 P05177 4/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP2C19 P33261 3/20 0.43

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
SCHEMBL14195847 0.94 S1PR2 (0.53) ALDH1A1L3MBTL1MAPTKMT2AHPGD
SCHEMBL13221149 0.93 ALDH1A1 (0.53) ALDH1A1L3MBTL1MAPTKMT2AHPGD
SCHEMBL5712342 0.90 ALDH1A1 (0.46) ALDH1A1L3MBTL1MAPTKMT2AHPGD
SCHEMBL7462928 0.89 FDPS (0.51) ALDH1A1MAPTKMT2AHPGDMEN1
SCHEMBL15771884 0.85 ALDH1A1 (0.51) ALDH1A1L3MBTL1MAPTKMT2AHPGD
SCHEMBL2650454 0.85 ALDH1A1 (0.48) ALDH1A1L3MBTL1MAPTKMT2AHPGD
SCHEMBL5712326 0.85 S1PR2 (0.46) ALDH1A1L3MBTL1MAPTKMT2AHPGD
SCHEMBL7462173 0.84 FDPS (0.50) ALDH1A1L3MBTL1MAPTKMT2AMEN1
SCHEMBL5045277 0.84 FDPS (0.46) ALDH1A1L3MBTL1MAPTKMT2AHPGD
SCHEMBL9122728 0.83 FDPS (0.49) ALDH1A1KMT2AMEN1MAPK1FDPS

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 1436/4885MAPT 3165/4885

“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.