SCHEMBL401462

SCHEMBL401462

CCc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1C1C(=O)C2C3CCC(CC3)C2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 3/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
HIF1A Q16665 1/20 0.41
GMNN O75496 1/20 0.41
APEX1 P27695 1/20 0.41
PMP22 Q01453 1/20 0.41
CYP2C19 P33261 3/20 0.40
CYP2C9 P11712 2/20 0.40
HTT P42858 7/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HRH4 Q9H3N8 2/20 0.34

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
SCHEMBL407385 0.97 CYP1A2 (0.39) CYP1A2SMN1; SMN2ALDH1A1CYP3A4HPGD
SCHEMBL10196017 0.80 CYP1A2 (0.39) CYP1A2SMN1; SMN2ALDH1A1CYP3A4HPGD
SCHEMBL10196012 0.77 CYP1A2 (0.38) CYP1A2SMN1; SMN2ALDH1A1CYP3A4HPGD
SCHEMBL13190204 0.77 CYP1A2 (0.38) CYP1A2SMN1; SMN2ALDH1A1CYP3A4HPGD
SCHEMBL406309 0.74 CYP1A2 (0.42) CYP1A2SMN1; SMN2ALDH1A1CYP3A4HPGD
SCHEMBL13190201 0.73 CYP1A2 (0.39) CYP1A2SMN1; SMN2ALDH1A1CYP3A4HPGD
SCHEMBL10195450 0.73 CYP1A2 (0.39) CYP1A2SMN1; SMN2ALDH1A1CYP3A4HPGD
SCHEMBL10255136 0.73 CYP1A2 (0.39) CYP1A2SMN1; SMN2ALDH1A1CYP3A4HPGD
SCHEMBL10196184 0.73 CYP1A2 (0.38) CYP1A2SMN1; SMN2ALDH1A1CYP3A4HPGD
SCHEMBL3713558 0.72 CYP1A2 (0.42) CYP1A2SMN1; SMN2ALDH1A1CYP3A4HPGD

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 CYP1A2 67/4885SMN1; SMN2 2952/4885ALDH1A1 14/4885

“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.