SCHEMBL137474

SCHEMBL137474

NC(=O)CCCCCN=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
FAAH O00519 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM1 P11229 2/20 0.38
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
PMP22 Q01453 1/20 0.35
PRSS1 P07477 2/20 0.34
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL143002 1.00 SOAT1 (0.40) SOAT1MEN1KMT2AFAAHTP53
SCHEMBL21467448 1.00 SOAT1 (0.40) SOAT1MEN1KMT2AFAAHTP53
SCHEMBL135435 0.97
SCHEMBL138507 0.89
SCHEMBL137728 0.80
Palmitamide SCHEMBL27769973 0.80 SOAT1 (0.57) SOAT1MEN1KMT2AFAAHTP53
Octadecanoic Acid Amide SCHEMBL15360442 0.80 SOAT1 (0.57) SOAT1MEN1KMT2AFAAHTP53
Tetradecanamide SCHEMBL28022571 0.80 SOAT1 (0.57) SOAT1MEN1KMT2AFAAHTP53
SCHEMBL5475682 0.80 SOAT1 (0.57) SOAT1MEN1KMT2AFAAHTP53
SCHEMBL25293609 0.80 KMT2A (0.52) SOAT1MEN1KMT2AFAAHTP53

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 SOAT1 1699/4885MEN1 1194/4885KMT2A 1249/4885

“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.