SCHEMBL12590867

SCHEMBL12590867

COC(=O)NOc1cc(/C(=N/OCc2ccccc2C(F)(F)F)C(F)F)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.38
▸ MAOA P21397 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.37
▸ S1PR1 P21453 2/20 0.37
▸ TRPV1 Q8NER1 4/20 0.36
▸ UTS2R Q9UKP6 1/20 0.36
▸ ROCK2 O75116 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ PLK1 P53350 2/20 0.34
▸ SPHK2 Q9NRA0 2/20 0.34
▸ SPHK1 Q9NYA1 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ IDO1 P14902 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ FFAR4 Q5NUL3 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
SCHEMBL12557320 1.00 MAOB (0.38) MAOBMAOAEPHX2HDAC8S1PR1
SCHEMBL12557285 0.88 S1PR1 (0.43) MAOBMAOAEPHX2HDAC8S1PR1
SCHEMBL12557330 0.88 MAOB (0.42) MAOBMAOAEPHX2HDAC8S1PR1
SCHEMBL12557319 0.87 MAOB (0.39) MAOBMAOAEPHX2HDAC8S1PR1
SCHEMBL12590038 0.87 MAOB (0.39) MAOBMAOAEPHX2HDAC8S1PR1
SCHEMBL12557327 0.85 MAOB (0.37) MAOBMAOAEPHX2HDAC8S1PR1
SCHEMBL12557336 0.80 S1PR1 (0.42) MAOBMAOAEPHX2HDAC8S1PR1
SCHEMBL12557338 0.80 S1PR1 (0.42) MAOBMAOAEPHX2HDAC8S1PR1
SCHEMBL12557323 0.80 RAB9A (0.40) MAOBMAOAEPHX2TRPV1UTS2R
SCHEMBL12557334 0.79 S1PR1 (0.42) MAOBMAOAEPHX2S1PR1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144374-A1 OXIME ETHER DERIVATIVE AND FUNGICIDE FOR AGRICULTURE AND HORTICULTURE NIPPON SODA CO., LTD. (JP) 2011-06-16 — — US 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-20110144374-A1 OXIME ETHER DERIVATIVE AND FUNGICIDE FOR AGRICULTURE AND HORTICULTURE CBR3, CNPY2, NOX3 MAOB 895/4885MAOA 702/4885EPHX2 1120/4885

“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.

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