SCHEMBL2344242

SCHEMBL2344242

CC(C)CCCCCCCCCCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 6/20 0.52
NPY4R P50391 4/20 0.51
NPY5R Q15761 4/20 0.51
NPY1R P25929 3/20 0.51
NPY2R P49146 1/20 0.51
NMT2 O60551 1/20 0.47
NMT1 P30419 1/20 0.47
SLC6A5 Q9Y345 2/20 0.47
EPHX2 P34913 1/20 0.46
FNTA P49354 2/20 0.46
FNTB P49356 2/20 0.46
PGGT1B P53609 1/20 0.44
GLP1R P43220 2/20 0.42

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
SCHEMBL19499060 0.88 NOD1 (0.66) NOD1SLC6A5EPHX2GLP1R
SCHEMBL4277325 0.88 NOD1 (0.66) NOD1SLC6A5EPHX2GLP1R
SCHEMBL11102827 0.88 NOD1 (0.66) NOD1SLC6A5EPHX2GLP1R
SCHEMBL2341993 0.88 NOD1 (0.66) NOD1SLC6A5EPHX2GLP1R
SCHEMBL19499048 0.88 NOD1 (0.53) NOD1NPY4RNPY5RNPY1RNPY2R
SCHEMBL4278821 0.88 NOD1 (0.66) NOD1SLC6A5EPHX2GLP1R
SCHEMBL2341081 0.88 NOD1 (0.66) NOD1SLC6A5EPHX2GLP1R
SCHEMBL19499049 0.88 NOD1 (0.53) NOD1NPY4RNPY5RNPY1RNPY2R
SCHEMBL2341089 0.88 NOD1 (0.66) NOD1SLC6A5EPHX2GLP1R
SCHEMBL2340732 0.88 NOD1 (0.66) NOD1SLC6A5EPHX2GLP1R

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6974582-B2 Cosmetic composition AJINOMOTO CO., INC. (JP) 2005-12-13 US claimed
US-10786437-B2 Composition for cosmetics and cosmetics comprising same AJINOMOTO CO., INC (JP) 2020-09-29 US disclosed
US-10736826-B2 Cream-like composition AJINOMOTO CO., INC. (JP) 2020-08-11 US disclosed
US-20190133897-A1 CREAM-LIKE COMPOSITION AJINOMOTO CO., INC. (JP) 2019-05-09 US disclosed
EP-1264590-B1 Cosmetic composition AJINOMOTO KK (JP) 2011-08-24 EP disclosed
US-7608250-B2 Cosmetic composition AJINOMOTO CO., INC. (JP) 2009-10-27 US disclosed
US-20060029626-A1 Cosmetic composition AJINOMOTO CO., INC. (JP) 2006-02-09 US disclosed
US-6974582-B2 Cosmetic composition AJINOMOTO CO., INC. (JP) 2005-12-13 US disclosed
US-20030165448-A1 Cosmetic composition AJINOMOTO CO., INC. (JP) 2003-09-04 US disclosed
US-20030124155-A1 Cosmetic composition AJINOMOTO CO., INC. (JP) 2003-07-03 US disclosed
US-20030124156-A1 Cosmetic composition AJINOMOTO CO., INC. (JP) 2003-07-03 US disclosed
EP-1264591-A2 Cosmetic composition Ajinomoto Co., Inc. (JP) 2002-12-11 EP disclosed
EP-1264590-A2 Cosmetic composition Ajinomoto Co., Inc. (JP) 2002-12-11 EP 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 (4 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-20030165448-A1 Cosmetic composition CUTA, ARGLU1, ASS1 NOD1 4534/4885NPY4R 3013/4885NPY5R 1491/4885
US-20060029626-A1 Cosmetic composition CUTA, NGLY1, ARG1 NOD1 4286/4885NPY4R 2345/4885NPY5R 1115/4885
US-20030124155-A1 Cosmetic composition CUTA, ASS1, SMS NOD1 4831/4885NPY4R 4395/4885NPY5R 2249/4885
US-20030124156-A1 Cosmetic composition CUTA, PARG, PARN NOD1 4865/4885NPY4R 4056/4885NPY5R 2135/4885

“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.