SCHEMBL4456884

SCHEMBL4456884

COc1c(C)c(C)cc(C)c1CCCl

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.39
ACHE P22303 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
PGK1 P00558 1/20 0.31
PGK2 P07205 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
SCHEMBL4036165 0.78 CA2 (0.41) IMPDH2ACHEHPGDHSD17B10ALDH1A1
SCHEMBL5566891 0.75 ACHE (0.43) IMPDH2ACHEALDH1A1MAPT
SCHEMBL4632384 0.73 ALDH1A1 (0.33) IMPDH2ACHEHPGDHSD17B10ALDH1A1
SCHEMBL5454389 0.71 ACHE (0.40) IMPDH2ACHEALDH1A1MAPT
SCHEMBL11432281 0.71 ACHE (0.39) IMPDH2ACHEHPGDMEN1ALDH1A1
SCHEMBL26360007 0.70 IMPDH2 (0.39) IMPDH2ACHEALDH1A1MAPT
SCHEMBL17856235 0.69 IMPDH2 (0.34) IMPDH2ACHEALDH1A1
SCHEMBL10749887 0.67 PTGS2 (0.43) ACHEHPGDHSD17B10MEN1ALDH1A1
SCHEMBL16363013 0.67 PTGS2 (0.39) ACHEHPGDHSD17B10MEN1ALDH1A1
SCHEMBL148267 0.66 ALDH1A1 (0.43) ACHEALDH1A1MAPT

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-7608563-B2 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same MITSUI AGRO CHEMICALS, INC. (JP) 2009-10-27 US disclosed
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same SANKYO AGRO COMPANY, LIMITED (JP) 2005-02-17 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-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 IMPDH2 2443/4885ACHE 68/4885HPGD 1885/4885

“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.