SCHEMBL5161306

SCHEMBL5161306

CCC#CC(C)(C)NC(=O)C(Br)CC

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL5158555 0.87 ALDH1A1 (0.32) ALDH1A1KMT2A
SCHEMBL2863347 0.86 ALDH1A1 (0.35) ALDH1A1KMT2A
SCHEMBL4951777 0.82
SCHEMBL11519053 0.79 ALDH1A1 (0.35) ALDH1A1KMT2A
SCHEMBL6485296 0.75 ALDH1A1 (0.40) ALDH1A1KMT2A
SCHEMBL9510245 0.71 ALDH1A1 (0.35) ALDH1A1
SCHEMBL4613232 0.71
SCHEMBL2224950 0.71 ALDH1A1 (0.37) ALDH1A1KMT2A
SCHEMBL27468857 0.70 ALDH1A1 (0.39) ALDH1A1KMT2A
SCHEMBL2858818 0.68

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
US-20070135468-A1 PYRIDYLOXYALKANOIC ACID AMIDE DERIVATIVES USEFUL AS FUNGICIDES SYNGENTA LIMITED (GB) 2007-06-14 US disclosed
EP-1456174-B1 PYRIDYLOXYALKANOIC ACID AMIDE DERIVATIVES USEFUL AS FUNGICIDES SYNGENTA LTD (GB) 2007-02-14 EP disclosed
US-7166621-B2 Pyridyloxyalkanoic acid amide derivatives useful as fungicides SYNGENTA LIMITED (GB) 2007-01-23 US disclosed
US-20050065032-A1 Pyridyloxyalkanoic acid amide derivatives useful as fungicides SYNGENTA PARTICIPATIONS AG (CH) 2005-03-24 US disclosed
EP-1456174-A1 PYRIDYLOXYALKANOIC ACID AMIDE DERIVATIVES USEFUL AS FUNGICIDES Syngenta Limited (GB) 2004-09-15 EP disclosed
WO-2003048128-A1 PYRIDYLOXYALKANOIC ACID AMIDE DERIVATIVES USEFUL AS FUNGICIDES SYNGENTA LIMITED (GB) 2003-06-12 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 (2 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-20050065032-A1 Pyridyloxyalkanoic acid amide derivatives useful as fungicides DDT, C3AR1, CNPY3 ALDH1A1 1815/4885KMT2A 2644/4885
US-20070135468-A1 PYRIDYLOXYALKANOIC ACID AMIDE DERIVATIVES USEFUL AS FUNGICIDES DDT, C3AR1, CBR3 ALDH1A1 1581/4885KMT2A 2450/4885

“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.