SCHEMBL5363317

SCHEMBL5363317

C#CCCCC(C)(C)NC(=O)C(CC)Oc1cncc(Br)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL5344974 0.81 PKM (0.35) ALDH1A1PKMMAPTNPSR1
SCHEMBL5159277 0.81 CYP1A2 (0.40) CYP1A2CYP3A4CYP2C19ALDH1A1PKM
SCHEMBL5156483 0.77 CYP1A2 (0.38) CYP1A2CYP3A4CYP2C19ALDH1A1KDM4E
SCHEMBL5160991 0.77 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C19ALDH1A1KDM4E
SCHEMBL6671259 0.73 CYP1A2 (0.35) CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL5159105 0.72 KDM4E (0.42) CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL5158351 0.72 SMN1; SMN2 (0.51) ALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL5162319 0.71 SMN1; SMN2 (0.50) ALDH1A1KDM4E
SCHEMBL5162313 0.71 CHRNB2 (0.40) KDM4EMAPT
SCHEMBL5158193 0.70 CHRNB2 (0.33) ALDH1A1MAPTNPSR1

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 CYP1A2 334/4885CYP3A4 316/4885CYP2C19 842/4885

“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.