SCHEMBL12557370

SCHEMBL12557370

COC(=O)NOc1cc(/C(C)=N/OCc2ccc(OC)cc2)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.48
▸ PPARG P37231 2/20 0.46
▸ PPARA Q07869 2/20 0.46
▸ ALDH1A1 P00352 6/20 0.40
▸ MAPT P10636 4/20 0.40
▸ HTT P42858 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PKM P14618 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39

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
SCHEMBL12557353 0.92 RAB9A (0.49) S1PR1PPARGPPARAMAPTNPC1
SCHEMBL12557293 0.90 S1PR1 (0.47) S1PR1PPARGPPARAMAPTNPC1
SCHEMBL12557348 0.89 NPC1 (0.49) S1PR1PPARGPPARANPC1RAB9A
SCHEMBL12557360 0.89 NPC1 (0.47) S1PR1PPARGPPARAALDH1A1HTT
SCHEMBL12557307 0.86 RAB9A (0.43) S1PR1PPARGPPARANPC1RAB9A
SCHEMBL12557309 0.85 NPC1 (0.40) S1PR1PPARGPPARANPC1RAB9A
SCHEMBL12557352 0.85 NPC1 (0.53) PPARGPPARAALDH1A1NPC1RAB9A
SCHEMBL12557291 0.83 RAB9A (0.47) S1PR1PPARGPPARANPC1RAB9A
SCHEMBL12557365 0.82 PPARG (0.42) S1PR1PPARGPPARAALDH1A1MAPT
SCHEMBL12557349 0.82 HDAC8 (0.50) PPARGPPARAALDH1A1MAPTHTT

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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