SCHEMBL119198

SCHEMBL119198

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KMO O15229 2/20 0.38
TPMT P51580 1/20 0.37
MEP1B Q16820 1/20 0.36
TSHR P16473 1/20 0.34
ACLY P53396 4/20 0.33
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
TAS1R2 Q8TE23 1/20 0.33
STING1 Q86WV6 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
GRM4 Q14833 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
RORC P51449 1/20 0.31
SUV39H2 Q9H5I1 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
SCHEMBL16712267 0.91 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10KMOTPMT
SCHEMBL16712293 0.89 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10KMOTPMT
SCHEMBL1114950 0.89 TAS1R3 (0.38) ALDH1A1KDM4EHSD17B10MEP1BTSHR
SCHEMBL119850 0.89 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10KMOTPMT
SCHEMBL13075707 0.88 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10KMOTPMT
SCHEMBL29443526 0.86 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10KMOTPMT
SCHEMBL678359 0.86 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10KMOTPMT
SCHEMBL679154 0.85 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10KMOTPMT
Potassium SCHEMBL679156 0.85 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10KMOTPMT
SCHEMBL16712268 0.85 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10KMOTPMT

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-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
WO-2009129291-A1 2-(SUBSTITUTED PHENYL)-6-HYDROXY OR ALKOXY-5-SUBSTITUTED-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2009-10-22 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.