SCHEMBL2287396

SCHEMBL2287396

C#CCOc1ccc(C(=O)NC(C)C(C)(C)O)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.50
PPARG P37231 1/20 0.44
RAB9A P51151 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
PDE4B Q07343 1/20 0.44
TAS1R3 Q7RTX0 7/20 0.42
TAS1R1 Q7RTX1 7/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
MAOB P27338 2/20 0.41
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL3286569 0.92 CYP2B6 (0.51) CYP2B6PPARGRAB9ANCOA3PDE4B
SCHEMBL3286606 0.92 CYP2B6 (0.51) CYP2B6PPARGRAB9ANCOA3PDE4B
SCHEMBL3285889 0.92 CYP2B6 (0.51) CYP2B6PPARGRAB9ANCOA3PDE4B
SCHEMBL3288790 0.88 CYP2B6 (0.56) CYP2B6PPARGRAB9ANCOA3PDE4B
SCHEMBL3286728 0.85 CYP2B6 (0.53) CYP2B6PPARGRAB9ANCOA3PDE4B
SCHEMBL13325337 0.85 CYP2B6 (0.53) CYP2B6PPARGRAB9ANCOA3PDE4B
SCHEMBL3285666 0.85 CYP2B6 (0.53) CYP2B6PPARGRAB9ANCOA3PDE4B
SCHEMBL3287333 0.84 MAPK1 (0.57) CYP2B6PPARGRAB9ANCOA3PDE4B
SCHEMBL3288060 0.83 CYP2B6 (0.51) CYP2B6PPARGRAB9ANCOA3PDE4B
SCHEMBL3284931 0.82 TAS1R3 (0.55) CYP2B6PPARGRAB9ANCOA3PDE4B

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003699-B2 Amide compound and use thereof for controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-23 US disclosed
US-8003699-B2 Amide compound and use thereof for controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-23 US disclosed
US-8003699-B2 Amide compound and use thereof for controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-23 US disclosed
US-20100105647-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED 2010-04-29 US disclosed
US-20100105647-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED 2010-04-29 US disclosed
US-20100105647-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED 2010-04-29 US disclosed
EP-2151432-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES Sumitomo Chemical Company, Limited (JP) 2010-02-10 EP 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-20100105647-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES CYC1, CBR3, CBR1 CYP2B6 726/4885PPARG 1067/4885RAB9A 1096/4885

“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.