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
SCHEMBL801270 0.74
SCHEMBL21765708 0.74 ALDH1A1 (0.48) ALDH1A1TDP1CA2CYP2C19
SCHEMBL103015 0.72
SCHEMBL10106488 0.70 ALDH1A1 (0.43) ALDH1A1TDP1CA2CYP2C19
SCHEMBL103740 0.68
SCHEMBL27522034 0.68 ALDH1A1 (0.42) ALDH1A1TDP1CA2CYP2C19
SCHEMBL5367268 0.68 ALDH1A1 (0.42) ALDH1A1TDP1CA2CYP2C19
SCHEMBL12734485 0.68 ALDH1A1 (0.42) ALDH1A1TDP1CA2CYP2C19
SCHEMBL10106489 0.67 ALDH1A1 (0.46) ALDH1A1TDP1CA2CYP2C19
SCHEMBL27269038 0.67

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.