SCHEMBL103104

SCHEMBL103104

CCCCCCC(=O)N(C)N=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
CES2 O00748 3/20 0.48
CES1 P23141 3/20 0.48
GPR84 Q9NQS5 7/20 0.46
PPARG P37231 7/20 0.46
PPARD Q03181 7/20 0.46
PPARA Q07869 7/20 0.46
HDAC11 Q96DB2 5/20 0.46
TSHR P16473 5/20 0.46
PTPN1 P18031 3/20 0.46
TLR2 O60603 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
FABP4 P15090 2/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
MEN1 O00255 1/20 0.46
ESR1 P03372 1/20 0.46
ALOX15 P16050 1/20 0.46
PDE4A P27815 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL103476 0.98 ALDH1A1 (0.52) ALDH1A1CES2CES1GPR84PPARG
SCHEMBL103352 0.91 ALDH1A1 (0.60) ALDH1A1CES2CES1KDM5AKDM4C
SCHEMBL103679 0.82
SCHEMBL2486021 0.78 ALDH1A1 (0.81) ALDH1A1CES2CES1GPR84PPARG
SCHEMBL740728 0.78 ALDH1A1 (0.81) ALDH1A1CES2CES1GPR84PPARG
SCHEMBL2090517 0.78 ALDH1A1 (0.81) ALDH1A1CES2CES1GPR84PPARG
Hexadecanoic Acid Dimethylamide SCHEMBL148603 0.78 ALDH1A1 (0.81) ALDH1A1CES2CES1GPR84PPARG
SCHEMBL22406917 0.78 ALDH1A1 (0.81) ALDH1A1CES2CES1GPR84PPARG
SCHEMBL3098865 0.78 ALDH1A1 (0.81) ALDH1A1CES2CES1GPR84PPARG
SCHEMBL9688302 0.78 ALDH1A1 (0.81) ALDH1A1CES2CES1GPR84PPARG

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 1190/4885CES2 2681/4885CES1 2896/4885

“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.