SCHEMBL4423281

SCHEMBL4423281

Nc1ccc(CCCCCCCCCCC(=O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.69
RXFP1 Q9HBX9 1/20 0.69
MAOB P27338 2/20 0.59
HDAC3 O15379 1/20 0.57
MAPK1 P28482 1/20 0.57
ADRA1A P35348 1/20 0.57
HDAC4 P56524 1/20 0.57
SLC6A3 Q01959 1/20 0.57
HDAC1 Q13547 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
HSD17B10 Q99714 1/20 0.53
TBXAS1 P24557 5/20 0.51

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
SCHEMBL10987845 1.00 MAPT (0.69) MAPTRXFP1MAOBHDAC3MAPK1
SCHEMBL224789 0.98 MAPT (0.66) MAPTRXFP1MAOBHDAC3MAPK1
SCHEMBL434792 0.92 SMN1; SMN2 (0.67) MAPTRXFP1MAOBHDAC3MAPK1
SCHEMBL9671779 0.90 MAPT (0.83) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL3814880 0.90 MAPT (0.83) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL7827144 0.88 MAPT (0.80) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL7065645 0.88 MAPT (0.79) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL11760587 0.87 SMN1; SMN2 (0.60) MAPTRXFP1MAOBHDAC3MAPK1
SCHEMBL9329305 0.86 MAPT (0.66) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL31577196 0.86 MAOB (0.55) MAPTRXFP1MAOBHDAC1HDAC2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1691845-A4 COMPOUNDS CONTAINING MATRIX METALLOPROTEINASE SUBSTRATES AND METHODS OF THEIR USE BRISTOL MYERS SQUIBB PHARMA CO (US) 2009-02-25 EP disclosed
CN-1874792-A Compounds containing matrix metalloproteinase substrates and methods of their use BRISTOL MYERS SQUIBB PHARMA CO (US) 2006-12-06 CN disclosed
EP-1691845-A1 COMPOUNDS CONTAINING MATRIX METALLOPROTEINASE SUBSTRATES AND METHODS OF THEIR USE Bristol-Myers Squibb Pharma Company (US) 2006-08-23 EP disclosed
US-20050106100-A1 Compounds containing matrix metalloproteinase substrates and methods of their use LANTHEUS MEDICAL IMAGING, INC. 2005-05-19 US disclosed
WO-2005023314-A1 COMPOUNDS CONTAINING MATRIX METALLOPROTEINASE SUBSTRATES AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-03-17 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-20050106100-A1 Compounds containing matrix metalloproteinase substrates and methods of their use MMP1, MMP10, MMP8 MAPT 2533/4885RXFP1 2548/4885MAOB 133/4885

“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.