SCHEMBL103091

SCHEMBL103091

CCCN(N=O)C(=O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
CA2 P00918 1/20 0.37
MLYCD O95822 1/20 0.34
CA1 P00915 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
FDPS P14324 1/20 0.30

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
SCHEMBL103983 0.82 TSHR (0.36) MLYCDTSHR
SCHEMBL178735 0.81 ALDH1A1 (0.48) TSHR
SCHEMBL103990 0.78 HPGD (0.35)
SCHEMBL29299952 0.76 CA12 (0.32) CA12CA9CA2MLYCD
SCHEMBL28340847 0.75
SCHEMBL103889 0.75
SCHEMBL104266 0.74 LMNA (0.36) TSHR
SCHEMBL3500621 0.73
SCHEMBL102980 0.73 CA12 (0.34) CA12CA9CA2TSHRMAPK1
SCHEMBL17702635 0.72 MLYCD (0.38) CA12CA9CA2MLYCDCA1

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-8728442-B2 Method of controlling the growth of microorganisms by a composition containing isolated or in vitro synthesized nitrosoamides BAYER CROPSCIENCE LP (US) 2014-05-20 US disclosed
US-20120058058-A1 COMPOUNDS DERIVED FROM MUSCODOR FUNGI AGRAQUEST, INC. (US) 2012-03-08 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-20120058058-A1 COMPOUNDS DERIVED FROM MUSCODOR FUNGI SPOUT1, ERG28, DDT CA12 4498/4885CA9 3984/4885CA2 4642/4885

“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.