SCHEMBL14168752

SCHEMBL14168752

CC1(C)CC(CCc2ccccc2)=NO1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
KCNH2 Q12809 2/20 0.36
BACE1 P56817 2/20 0.35
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
NISCH Q9Y2I1 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL14168674 0.83 CHRNA7 (0.44) L3MBTL1
5-Methyl-3-Phenethyl-5-Phenyl-4,5-Dihydroisoxazole (Enantiomeric Mix) SCHEMBL2921112 0.82 ITGB1 (0.38) ITGB1ITGA4KCNH2BACE1
SCHEMBL14028657 0.74 ACHE (0.40) ITGB1ITGA4KCNH2
3-[2-(4-Hydroxy-Phenyl)-Ethyl]-5-Methyl-5-Phenyl-4,5-Dihydro-Isoxazole (Enantiomeric Mix) SCHEMBL2920444 0.73 ESR1 (0.38) ITGB1ITGA4
SCHEMBL2912160 0.73 SIGMAR1 (0.38) BACE1
SCHEMBL22018298 0.72 CRBN (0.32)
SCHEMBL21964021 0.67
SCHEMBL24517811 0.67 TP53 (0.36) BACE1MAOAMAOBGAAALDH1A1
Ethane SCHEMBL21049496 0.65 ALDH1A1 (0.61) KCNH2MAOAMAOBALDH1A1
SCHEMBL62125 0.64 ALDH1A1 (0.69) KCNH2MAOAMAOBALDH1A1

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-8680290-B2 Isoxazoline derivatives and their use as herbicides SYNGENTA LIMITED (GB) 2014-03-25 US disclosed
US-20080139390-A1 Isoxazoline Derivatives and Their Use as Herbicides SYNGENTA LIMITED (GB) 2008-06-12 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-20080139390-A1 Isoxazoline Derivatives and Their Use as Herbicides MTX1, MTX2, CHRM1 ITGB1 2130/4885ITGA4 3066/4885KCNH2 237/4885

“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.