SCHEMBL17459264

SCHEMBL17459264

O=c1cccc(O)n1-c1cccc(OC(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
TOP2A P11388 1/20 0.43
PDE10A Q9Y233 3/20 0.42
HPD P32754 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
KCNH2 Q12809 2/20 0.39
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
PLA2G10 O15496 3/20 0.38
PLA2G2A P14555 3/20 0.38
PLA2G5 P39877 3/20 0.38
KAT6A Q92794 2/20 0.38
P2RX1 P51575 1/20 0.38
FEN1 P39748 1/20 0.38
HSD11B1 P28845 1/20 0.38

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
SCHEMBL17459257 0.79 CHRM5 (0.40) NOTUMTOP2APDE10ADRD2DRD3
SCHEMBL17459260 0.78 CYP1A2 (0.50) NOTUMPLA2G10
SCHEMBL28752498 0.74 MGLL (0.62) NOTUMDRD2DRD3KCNH2
SCHEMBL29510581 0.74 MGLL (0.62) NOTUMDRD2DRD3KCNH2
SCHEMBL11306236 0.73 MAPT (0.52)
SCHEMBL4185632 0.72 PDE4B (0.48) NOTUMTOP2APDE10AHPDPDE4B
SCHEMBL10561497 0.70 KAT6A (0.52) HDAC8KAT6AHSD11B1
SCHEMBL3147185 0.70 GPR3 (0.50)
SCHEMBL3432545 0.70 TDP1 (0.43) PDE10APDE4BPDE4D
SCHEMBL224912 0.69 NLRP3 (0.48) KAT6AP2RX1

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-9963442-B2 Pyridones as herbicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 2018-05-08 US disclosed
US-20170204081-A1 PYRIDONES AS HERBICIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2017-07-20 US disclosed
EP-3171698-A1 PYRIDONES AS HERBICIDES E. I. du Pont de Nemours and Company (US) 2017-05-31 EP disclosed
CN-106687452-A Pyridones as herbicides 纳幕尔杜邦公司 2017-05-17 CN disclosed
WO-2016014814-A1 PYRIDONES AS HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2016-01-28 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-20170204081-A1 PYRIDONES AS HERBICIDES CYP1B1, PNPO, CYP1A1 NOTUM 1079/4885TOP2A 500/4885PDE10A 1794/4885

“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.