SCHEMBL124869

SCHEMBL124869

CCOc1ccc2cc(C(=O)O)c(C(F)(F)F)nc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
KDM4E B2RXH2 7/20 0.40
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.37
DGAT1 O75907 1/20 0.37
GFER P55789 1/20 0.37
ADORA1 P30542 1/20 0.36
HPGDS O60760 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
IDO1 P14902 1/20 0.35
MAPK8 P45983 1/20 0.35
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
HIF1A Q16665 1/20 0.33

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
SCHEMBL123888 0.88 L3MBTL1 (0.48) MAPTKDM4ENPSR1ALDH1A1SMN1; SMN2
SCHEMBL125580 0.88 KDM4E (0.52) MAPTKDM4ENPSR1ALDH1A1HPGD
SCHEMBL125140 0.86 HTT (0.38) KDM4EALDH1A1HPGDGFERHPGDS
SCHEMBL27838153 0.85 TDP1 (0.48) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL124718 0.84 GAA (0.40) MAPTKDM4ENPSR1ALDH1A1TSHR
SCHEMBL26641047 0.84 MAPT (0.46) MAPTKDM4ENPSR1ALDH1A1HPGD
SCHEMBL126956 0.82 ALDH1A1 (0.39) KDM4ENPSR1ALDH1A1HPGDHSD17B10
SCHEMBL127143 0.82 HPD (0.39) MAPTKDM4ENPSR1ALDH1A1CYP1A2
SCHEMBL125428 0.81 GFER (0.39) MAPTKDM4ENPSR1ALDH1A1HPGD
SCHEMBL125953 0.80 KDM4E (0.37) MAPTKDM4ENPSR1ALDH1A1HPGD

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-8461083-B2 Herbicidal compounds SYNGENTA LIMITED (GB) 2013-06-11 US disclosed
EP-2265120-B1 HERBICIDAL COUMPOUNDS SYNGENTA LTD (GB) 2012-03-07 EP disclosed
US-20110021352-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-27 US disclosed
EP-2265120-A1 HERBICIDAL COUMPOUNDS Syngenta Limited (GB) 2010-12-29 EP disclosed
WO-2009115788-A1 HERBICIDAL COUMPOUNDS SYNGENTA LIMITED (GB) 2009-09-24 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-20110021352-A1 HERBICIDAL COMPOUNDS RDX, NQO2, DDT MAPT 4399/4885KDM4E 1231/4885NPSR1 683/4885

“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.