SCHEMBL119850

SCHEMBL119850

COc1c(Cl)ccc(-c2nc(Cl)c(Cl)c(C(=O)O)n2)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMO O15229 2/20 0.38
MEP1B Q16820 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
TPMT P51580 1/20 0.35
TSHR P16473 1/20 0.35
ACLY P53396 4/20 0.34
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
TAS1R2 Q8TE23 1/20 0.34
NOX1 Q9Y5S8 1/20 0.33
DHPS P49366 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAA1 Q13131 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
SCHEMBL117789 0.90 TAS1R3 (0.40) ALDH1A1KDM4EHSD17B10MEP1BTSHR
SCHEMBL13075707 0.89 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10KMOMEP1B
SCHEMBL119198 0.89 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10KMOMEP1B
SCHEMBL678359 0.88 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10KMOMEP1B
SCHEMBL29443526 0.88 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10KMOMEP1B
SCHEMBL679154 0.86 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10KMOMEP1B
Potassium SCHEMBL679156 0.86 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10KMOMEP1B
SCHEMBL16712267 0.85 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10KMOMEP1B
SCHEMBL1397051 0.84 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10KMOMEP1B
SCHEMBL1397100 0.84 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10KMOMEP1B

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
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
EP-2424367-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION Syngenta Limited (GB) 2012-03-07 EP disclosed
WO-2010125332-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA LIMITED (GB) 2010-11-04 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 (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-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION TYMS, DHFR, UNG ALDH1A1 3537/4885KDM4E 2202/4885HSD17B10 3547/4885

“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.