SCHEMBL5735323

SCHEMBL5735323

CCOC(=O)C1=NOC(c2ccc(C3COC(c4c(F)cccc4F)=N3)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
PPARG P37231 8/20 0.36
PPARA Q07869 6/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
TP53 P04637 1/20 0.33
AGT P01019 1/20 0.32

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
SCHEMBL5735760 0.82 MAPT (0.40) ALDH1A1HTTMAPTNPC1RAB9A
SCHEMBL5736522 0.79 MLYCD (0.31) ALDH1A1HTT
SCHEMBL341388 0.77 ALDH1A1 (0.52) ALDH1A1PPARGPPARAL3MBTL1HTT
SCHEMBL6978623 0.76 MAPT (0.43) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL6980392 0.76 ALDH1A1 (0.41) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL5734091 0.75 TSHR (0.43) ALDH1A1HTTMAPTNPC1RAB9A
SCHEMBL5901379 0.74 ATM (0.46) ALDH1A1PPARGPPARAL3MBTL1MEN1
SCHEMBL23179843 0.73 TAAR1 (0.43) ALDH1A1HTTMAPTNPC1RAB9A
SCHEMBL13962782 0.73 ALDH1A1 (0.43) ALDH1A1PPARGPPARAL3MBTL1HTT
SCHEMBL23178736 0.72 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AHTTMAPT

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
EP-1390356-B1 ARYLISOXAZOLINE DERIVATIVES, METHOD FOR PRODUCTION AND USE THEREOF AS PESTICIDES BAYER CROPSCIENCE GMBH (DE) 2006-05-31 EP disclosed
EP-1390356-A1 ARYLISOXAZOLINE DERIVATIVES, METHOD FOR PRODUCTION AND USE THEREOF AS PESTICIDES Bayer CropScience GmbH (DE) 2004-02-25 EP disclosed
US-6645984-B2 Mixtures of insecticides, miticides, nematocides, attractants, sterilizers, nematocides, fungicides or molluscides, used for protecting plants and/or seeds, or seals, paints, lubricants for metal working, drilling or cutting oil additives AVENTIS CROPSCIENCE GMBH (DE) 2003-11-11 US disclosed
US-20030114501-A1 Arylisoxazoline derivatives, processes for their preparation and their use as pesticides MERIAL, INC. 2003-06-19 US disclosed
WO-2002076956-A1 ARYLISOXAZOLINE DERIVATIVES, METHOD FOR PRODUCTION AND USE THEREOF AS PESTICIDES BAYER CROPSCIENCE GMBH (DE) 2002-10-03 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-20030114501-A1 Arylisoxazoline derivatives, processes for their preparation and their use as pesticides CBR1, CBR3, CYP4X1 ALDH1A1 1316/4885PPARG 1467/4885PPARA 2244/4885

“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.