SCHEMBL12557338

SCHEMBL12557338

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 5/20 0.42
▸ PPARG P37231 5/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ MAOB P27338 2/20 0.40
▸ MAOA P21397 1/20 0.40
▸ EPHX2 P34913 8/20 0.38
▸ S1PR3 Q99500 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ UTS2R Q9UKP6 1/20 0.36
▸ FFAR1 O14842 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL12557285 0.92 S1PR1 (0.43) S1PR1PPARGPPARAMAOBMAOA
SCHEMBL12557336 0.89 S1PR1 (0.42) S1PR1PPARGPPARAMAOBMAOA
SCHEMBL12557282 0.83 S1PR1 (0.44) S1PR1PPARGPPARAMAOBMAOA
SCHEMBL12557330 0.83 MAOB (0.42) S1PR1MAOBMAOAEPHX2ALDH1A1
SCHEMBL12557319 0.82 MAOB (0.39) S1PR1MAOBMAOAEPHX2ALDH1A1
SCHEMBL12590038 0.82 MAOB (0.39) S1PR1MAOBMAOAEPHX2ALDH1A1
SCHEMBL12557313 0.81 S1PR1 (0.44) S1PR1PPARGPPARAMAOBMAOA
SCHEMBL12557302 0.81 S1PR1 (0.40) S1PR1S1PR3
SCHEMBL12557303 0.81 S1PR1 (0.42) S1PR1EPHX2S1PR3
SCHEMBL12590867 0.80 MAOB (0.38) S1PR1MAOBMAOAEPHX2ALDH1A1

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 2 patents. 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
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 S1PR1 1178/4885PPARG 2729/4885PPARA 2732/4885

“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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