SCHEMBL178735

SCHEMBL178735

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
BLM P54132 2/20 0.48
PMP22 Q01453 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ABCB11 O95342 1/20 0.48
GSR P00390 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
ADRA2A P08913 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDE4A P27815 1/20 0.42
ADRA1A P35348 1/20 0.42
LMNA P02545 1/20 0.37
NFKB1 P19838 1/20 0.37

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
SCHEMBL103091 0.81 CA12 (0.37) TSHR
SCHEMBL103990 0.76 HPGD (0.35) ALDH1A1MEN1KMT2A
SCHEMBL3347031 0.76
SCHEMBL103983 0.76 TSHR (0.36) TSHR
SCHEMBL178738 0.75 ALDH1A1 (0.44) ALDH1A1BLMPMP22MEN1KMT2A
SCHEMBL9295642 0.73
SCHEMBL11179593 0.71
SCHEMBL87565 0.71
SCHEMBL10886193 0.71
SCHEMBL29393349 0.71 ALDH1A1 (0.53) ALDH1A1BLMPMP22MEN1KMT2A

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 ALDH1A1 1190/4885BLM 1182/4885PMP22 3141/4885

“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.