SCHEMBL5350476

SCHEMBL5350476

CCC(Oc1cnc(Cl)c(Cl)c1)C(=O)NC(C)C#CCCO

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.30
SCN9A Q15858 1/20 0.30
ACACA Q13085 1/20 0.30

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
SCHEMBL5155826 0.75 MAPK1 (0.39) ALDH1A1POLBGAANPSR1SCN9A
SCHEMBL5162414 0.74 SMN1; SMN2 (0.50) ALDH1A1
SCHEMBL5156570 0.74 ALDH1A1 (0.33) ALDH1A1POLBGAANPSR1MEN1
SCHEMBL5366179 0.73 L3MBTL1 (0.35)
SCHEMBL5158275 0.72 ALDH1A1 (0.35) ACACBALDH1A1POLBGAANPSR1
SCHEMBL6671619 0.71 ALDH1A1 (0.33) ALDH1A1POLBGAANPSR1MEN1
SCHEMBL5158298 0.70 ALDH1A1 (0.32) ALDH1A1POLBGAANPSR1MEN1
SCHEMBL5156465 0.67 NPSR1 (0.31) ALDH1A1NPSR1
SCHEMBL5159627 0.67 ALDH1A1 (0.30) ALDH1A1
SCHEMBL1547204 0.64 MAP4K4 (0.41) ACACBALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20050065032-A1 Pyridyloxyalkanoic acid amide derivatives useful as fungicides DDT, C3AR1, CNPY3 ACACB 1181/4885ALDH1A1 1815/4885POLB 4710/4885

“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.