SCHEMBL3906404

SCHEMBL3906404

O=C(CC(C(=O)O)c1ccc(Br)cc1)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 3/20 0.48
SLC15A1 P46059 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
MMP9 P14780 1/20 0.44
CNR2 P34972 1/20 0.43
MME P08473 2/20 0.43
FABP7 O15540 1/20 0.42
FABP5 Q01469 1/20 0.42
CDC25B P30305 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 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
SCHEMBL1705106 0.90 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1KMT2ASLC15A1
SCHEMBL3905937 0.89 EPHX1 (0.48) ALDH1A1MAPK1L3MBTL1KMT2ASLC15A1
SCHEMBL3907689 0.84 SMN1; SMN2 (0.43) ALDH1A1MAPK1L3MBTL1KMT2ASLC15A1
SCHEMBL26505618 0.83 SLC15A1 (0.50) ALDH1A1MAPK1L3MBTL1KMT2ASLC15A1
SCHEMBL14395281 0.83 SLC15A1 (0.50) ALDH1A1MAPK1L3MBTL1KMT2ASLC15A1
SCHEMBL3901687 0.81 CNR2 (0.44) ALDH1A1MAPK1L3MBTL1KMT2ASMN1; SMN2
SCHEMBL3911478 0.79 CACNA1B (0.44) ALDH1A1MAPK1L3MBTL1KMT2ASMN1; SMN2
SCHEMBL3905724 0.79 CNR2 (0.43) ALDH1A1MAPK1L3MBTL1KMT2ASMN1; SMN2
SCHEMBL3907599 0.77 GAA (0.65) MAPK1L3MBTL1SLC15A1SMN1; SMN2TP53
SCHEMBL27861010 0.77 CNR2 (0.43) ALDH1A1MAPK1L3MBTL1KMT2ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7476759-B2 e.g. 4-Amino-3-(4'-cyano-1,1'-biphenyl-4-yl)-4-oxobutanoic acid; antiinflammatory , anticarcinogenic, antiasthmatic agent; autoimmune disorder; osteoarthritis, rubella, Alzheimer's, Parkinson's diseases, epilepsy, osteoporosis GLAXO GROUP LIMITED (GB) 2009-01-13 US disclosed
US-20060235074-A1 Matrix metalloproteinase inhibitors GLAXO GROUP LIMITED (GB) 2006-10-19 US disclosed
EP-1654218-A2 MATRIX METALLOPROTEINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-05-10 EP disclosed
WO-2005016868-A2 MATRIX METALLOPROTEINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-02-24 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-20060235074-A1 Matrix metalloproteinase inhibitors MMP13, MMP9, MMP24 ALDH1A1 2636/4885MAPK1 2898/4885L3MBTL1 2956/4885

“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.