SCHEMBL7043975

SCHEMBL7043975

C=CCCCCCCCCC(=O)NC(CCC(N)=O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
NOD1 Q9Y239 8/20 0.51
SLC6A5 Q9Y345 2/20 0.51
GNPAT O15228 1/20 0.46
ABCC4 O15439 1/20 0.45
MAPT P10636 1/20 0.45
FAAH O00519 2/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL5177232 1.00 ALDH1A1 (0.51) ALDH1A1NOD1SLC6A5GNPATABCC4
SCHEMBL452804 0.88 ABCC4 (0.56) ALDH1A1NOD1SLC6A5GNPATABCC4
SCHEMBL452803 0.88 ABCC4 (0.56) ALDH1A1NOD1SLC6A5GNPATABCC4
SCHEMBL2894648 0.88 SLC6A5 (0.59) ALDH1A1NOD1SLC6A5GNPATABCC4
SCHEMBL2897531 0.88 SLC6A5 (0.59) ALDH1A1NOD1SLC6A5GNPATABCC4
SCHEMBL7045660 0.88 NOD1 (0.63) NOD1SLC6A5GNPATKMT2A
SCHEMBL7047220 0.88 NOD1 (0.63) NOD1SLC6A5GNPATKMT2A
SCHEMBL7046045 0.86 NOD1 (0.60) NOD1SLC6A5GNPATKMT2A
SCHEMBL24805419 0.83 NOD1 (0.58) NOD1SLC6A5GNPATEPHX2
SCHEMBL7602122 0.83 NOD1 (0.58) NOD1SLC6A5GNPATEPHX2

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
EP-0815833-B1 Malodour preventing agents GIVAUDAN SA (CH) 2003-04-09 EP claimed
US-7388105-B2 Compounds and use to reduce the formation of malodour GIVAUDAN S.A. (CH) 2008-06-17 US disclosed
US-7388105-B2 Compounds and use to reduce the formation of malodour GIVAUDAN S.A. (CH) 2008-06-17 US disclosed
US-20070092476-A1 Compounds and use to reduce the formation of malodour GIVAUDAN S.A. (CH) 2007-04-26 US disclosed
US-20070092476-A1 Compounds and use to reduce the formation of malodour GIVAUDAN S.A. (CH) 2007-04-26 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-20070092476-A1 Compounds and use to reduce the formation of malodour LPO, DDO, DDT ALDH1A1 737/4885NOD1 4606/4885SLC6A5 1115/4885

“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.