SCHEMBL103520

SCHEMBL103520

CC(C)CC(=O)N(C)N=O

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CA2 P00918 1/20 0.37
▸ CYP2C19 P33261 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
SCHEMBL21765708 0.74 ALDH1A1 (0.48) ALDH1A1TDP1CA2CYP2C19
SCHEMBL801270 0.74 — —
SCHEMBL103015 0.72 — —
SCHEMBL10106488 0.70 ALDH1A1 (0.43) ALDH1A1TDP1CA2CYP2C19
SCHEMBL103740 0.68 — —
SCHEMBL27522034 0.68 ALDH1A1 (0.42) ALDH1A1TDP1CA2CYP2C19
SCHEMBL12734485 0.68 ALDH1A1 (0.42) ALDH1A1TDP1CA2CYP2C19
SCHEMBL5367268 0.68 ALDH1A1 (0.42) ALDH1A1TDP1CA2CYP2C19
SCHEMBL27269038 0.67 — —
SCHEMBL10106489 0.67 ALDH1A1 (0.46) ALDH1A1TDP1CA2CYP2C19

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
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-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
US-20120058058-A1 COMPOUNDS DERIVED FROM MUSCODOR FUNGI AGRAQUEST, INC. (US) 2012-03-08 — — US disclosed
WO-2010132509-A2 COMPOUNDS DERIVED FROM MUSCODOR FUNGI AGRAQUEST, INC. (US) 2010-11-18 — — 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-20120058058-A1 COMPOUNDS DERIVED FROM MUSCODOR FUNGI SPOUT1, ERG28, DDT ALDH1A1 1190/4885TDP1 1564/4885CA2 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.

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