SCHEMBL2444683

SCHEMBL2444683

CCOC(=O)CCCOc1ccc(CCC(C)=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.55
CYP4A11 Q02928 1/20 0.55
LTA4H P09960 6/20 0.54
LMNA P02545 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 1/20 0.51
BRD4 O60885 1/20 0.50
CYSLTR2 Q9NS75 1/20 0.50
CYSLTR1 Q9Y271 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL1744994 0.86 CYP4F2 (0.59) CYP4F2CYP4A11LTA4HLMNAL3MBTL1
SCHEMBL30257467 0.85 LTA4H (0.56) LTA4HBRD4CYSLTR2CYSLTR1
SCHEMBL12549253 0.85 LTA4H (0.59) LTA4HLMNAALDH1A1BRD4CYSLTR2
SCHEMBL26455103 0.85 LMNA (0.66) LMNAL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL1667461 0.84 PLA2G4A (0.58) LTA4HLMNAL3MBTL1ALDH1A1MEN1
SCHEMBL8000090 0.84 LTA4H (0.57) CYP4F2CYP4A11LTA4HLMNAL3MBTL1
SCHEMBL28538108 0.84 CYP4F2 (0.60) CYP4F2CYP4A11LTA4HLMNAL3MBTL1
SCHEMBL10726761 0.84 LTA4H (0.57) LTA4HBRD4CYSLTR2CYSLTR1
SCHEMBL2886166 0.84 LTA4H (0.57) CYP4F2CYP4A11LTA4HBRD4CYSLTR2
SCHEMBL7279461 0.83 CYP4F2 (0.59) CYP4F2CYP4A11LTA4HLMNAL3MBTL1

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-1657235-B1 Phenethanolamine-derived haptens, immunogens and conjugates comprising them and antibodies recognising said immunogenes and conjugates RANDOX LAB LTD (GB) 2011-09-21 EP disclosed
US-7192722-B2 Phenethanolamine-derived haptens, immunogens, antibodies and conjugates RANDOX LABORATORIES (GB) 2007-03-20 US disclosed
US-7192722-B2 Phenethanolamine-derived haptens, immunogens, antibodies and conjugates RANDOX LABORATORIES (GB) 2007-03-20 US disclosed
US-20060223132-A1 uses in competitive immunoassays for the detection of ractopamine, isoxsuprine and ritodrine RANDOX LABORATORIES LIMITED (GB) 2006-10-05 US disclosed
EP-1657235-A2 Phenethanolamine-derived haptens, immunogens and conjugates comprising them and antibodies recognising said immunogenes and conjugates Randox Laboratories Ltd. (GB) 2006-05-17 EP 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-20060223132-A1 uses in competitive immunoassays for the detection of ractopamine, isoxsuprine and ritodrine HRH3, HRH4, HRH1 CYP4F2 514/4885CYP4A11 1107/4885LTA4H 108/4885

“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.