SCHEMBL5526591

SCHEMBL5526591

CC(C)(C)OC(=O)NCCCCCCn1cnc(C(N)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
CA12 O43570 5/20 0.47
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA9 Q16790 5/20 0.47
TDP1 Q9NUW8 1/20 0.47
DRD2 P14416 7/20 0.43
STING1 Q86WV6 2/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
STK17B O94768 1/20 0.40
STK17A Q9UEE5 1/20 0.40

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
SCHEMBL21070201 0.83 DRD2 (0.43) CA12CA1CA2CA9TDP1
SCHEMBL34474799 0.82 TDP1 (0.47) MAOAMAOBCA12CA1CA2
SCHEMBL21071078 0.79 CA1 (0.46) MAOAMAOBCA12CA1CA2
SCHEMBL19027921 0.78 CA1 (0.44) MAOAMAOBCA12CA1CA2
SCHEMBL30803496 0.78 ALDH1A1 (0.48) MAOAMAOBCA12CA1CA2
SCHEMBL21069415 0.77 TDP1 (0.47) MAOAMAOBCA12CA1CA2
SCHEMBL2878788 0.75 CA1 (0.44) MAOAMAOBCA12CA1CA2
SCHEMBL5528585 0.74 MAOA (0.48) MAOAMAOBCA12CA1CA2
SCHEMBL3530338 0.74 TBXAS1 (0.54) TDP1
SCHEMBL31421606 0.74 TBXAS1 (0.54) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518859-B2 Method for increasing yield of staple food crop NATIONAL UNIVERSITY CORPORATION SHIZUOKA UNIVERSITY (JP) 2013-08-27 US disclosed
US-8518859-B2 Method for increasing yield of staple food crop NATIONAL UNIVERSITY CORPORATION SHIZUOKA UNIVERSITY (JP) 2013-08-27 US disclosed
US-20120122690-A1 Method For Increasing Yield Of Staple Food Crop NATIONAL UNIVERSITY CORPORATION SHIZUOKA (JP) 2012-05-17 US disclosed
US-20120122690-A1 Method For Increasing Yield Of Staple Food Crop NATIONAL UNIVERSITY CORPORATION SHIZUOKA (JP) 2012-05-17 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-20120122690-A1 Method For Increasing Yield Of Staple Food Crop SI, H1-0, H1-3 MAOA 4193/4885MAOB 3721/4885CA12 228/4885

“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.