SCHEMBL406669

SCHEMBL406669

CCc1ccc(O)cc1C1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B3 P37058 1/20 0.33
CYP19A1 P11511 6/20 0.32
NQO2 P16083 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
ANPEP P15144 1/20 0.31
DPP4 P27487 1/20 0.31
TYR P14679 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
CYP1A2 P05177 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
SCHEMBL407119 0.96 HSD17B3 (0.36) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL448707 0.83 LMNA (0.35) ALDH1A1GAAMEN1KMT2A
SCHEMBL407231 0.83 LMNA (0.35) ALDH1A1GAAMEN1KMT2A
SCHEMBL405703 0.83 LMNA (0.35) ALDH1A1GAAMEN1KMT2A
SCHEMBL449377 0.79 TAAR1 (0.34) ALDH1A1MEN1KMT2AHTR2AHTR2C
SCHEMBL449376 0.79 TAAR1 (0.34) ALDH1A1MEN1KMT2AHTR2AHTR2C
SCHEMBL446693 0.78 LMNA (0.38) ALDH1A1
SCHEMBL403031 0.78 LMNA (0.38) ALDH1A1
SCHEMBL452406 0.73 TAAR1 (0.36) SLC6A3ALDH1A1MEN1KMT2AHTR2A
SCHEMBL452407 0.73 TAAR1 (0.36) SLC6A3ALDH1A1MEN1KMT2AHTR2A

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
EP-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 EP disclosed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US disclosed
US-20120021912-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
EP-2389066-A1 CYCLOPENTADIONE DERIVED HERBICIDES Syngenta Limited (GB) 2011-11-30 EP disclosed
WO-2010102848-A1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LIMITED (GB) 2010-09-16 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-20120021912-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 SLC6A2 2164/4885SLC6A4 1443/4885SLC6A3 862/4885

“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.