SCHEMBL7048969

SCHEMBL7048969

CCOC(=O)CCCOc1ccc(-c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.63
LTA4H P09960 7/20 0.60
CYSLTR2 Q9NS75 1/20 0.58
CYSLTR1 Q9Y271 1/20 0.58
HDAC3 O15379 5/20 0.56
HDAC4 P56524 5/20 0.56
HDAC1 Q13547 5/20 0.56
HDAC7 Q8WUI4 5/20 0.56
HDAC2 Q92769 5/20 0.56
HDAC10 Q969S8 5/20 0.56
HDAC11 Q96DB2 5/20 0.56
HDAC8 Q9BY41 5/20 0.56
HDAC6 Q9UBN7 5/20 0.56
HDAC9 Q9UKV0 5/20 0.56
HDAC5 Q9UQL6 5/20 0.56
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54

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
SCHEMBL4310750 0.94 HDAC3 (0.65) FAAHLTA4HCYSLTR2CYSLTR1HDAC3
SCHEMBL767042 0.91 TDP1 (0.62) FAAHLTA4HCYSLTR2CYSLTR1KDM4E
SCHEMBL7043277 0.88 HRH2 (0.57) FAAHLTA4HCYSLTR2CYSLTR1MAPT
SCHEMBL8955656 0.88 LTA4H (0.60) FAAHLTA4HCYSLTR2CYSLTR1KDM4E
SCHEMBL7047871 0.87 FAAH (0.64) FAAHLTA4HCYSLTR2CYSLTR1HDAC3
SCHEMBL1286274 0.87 HRH2 (0.58) FAAHLTA4HCYSLTR2CYSLTR1MAPT
SCHEMBL5491821 0.86 LTA4H (0.62) FAAHLTA4HCYSLTR2CYSLTR1HDAC1
SCHEMBL6338423 0.85 LTA4H (0.64) FAAHLTA4HCYSLTR2CYSLTR1ALDH1A1
SCHEMBL1171721 0.84 LTA4H (0.61) LTA4HCYSLTR2CYSLTR1HDAC1HDAC2
SCHEMBL27629760 0.84 LTA4H (0.61) LTA4HCYSLTR2CYSLTR1HDAC1HDAC2

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-0874808-B1 BIPHENYL HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LAB (US) 2003-04-09 EP disclosed
US-20020177594-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-11-28 US disclosed
WO-2002046129-A2 INHIBITORS OF HISTONE DEACETYLASE ABBOTT LABORATORIES (US) 2002-06-13 WO disclosed
EP-0874808-A1 BIPHENYL HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES Abbott Laboratories (US) 1998-11-04 EP disclosed
US-5665777-A ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1997-09-09 US disclosed
WO-1997018188-A1 BIPHENYL HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 1997-05-22 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-20020177594-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC3 FAAH 2579/4885LTA4H 2321/4885CYSLTR2 4388/4885

“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.