SCHEMBL3773213

SCHEMBL3773213

CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)OCC

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.69
NOD1 Q9Y239 10/20 0.66
POLB P06746 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 1/20 0.49
FAAH O00519 1/20 0.49
MAPK1 P28482 1/20 0.49
DNM1 Q05193 1/20 0.48
SLC6A5 Q9Y345 2/20 0.45
PLA2G2C Q5R387 1/20 0.44

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
SCHEMBL3776147 1.00 KMT2A (0.69) KMT2ANOD1POLBL3MBTL1MEN1
SCHEMBL27754272 1.00 KMT2A (0.69) KMT2ANOD1POLBL3MBTL1MEN1
SCHEMBL3773778 1.00 KMT2A (0.69) KMT2ANOD1POLBL3MBTL1MEN1
SCHEMBL27754307 1.00 KMT2A (0.69) KMT2ANOD1POLBL3MBTL1MEN1
SCHEMBL28329549 0.99 KMT2A (0.68) KMT2ANOD1POLBL3MBTL1MEN1
SCHEMBL3773081 0.90 NOD1 (0.67) KMT2ANOD1POLBMEN1FAAH
SCHEMBL3773080 0.90 NOD1 (0.67) KMT2ANOD1POLBMEN1FAAH
SCHEMBL3773070 0.90 NOD1 (0.67) KMT2ANOD1POLBMEN1FAAH
SCHEMBL28120619 0.90 NOD1 (0.63) KMT2ANOD1POLBMEN1FAAH
SCHEMBL5705135 0.90 NOD1 (0.56) KMT2ANOD1POLBMEN1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618171-B2 Encapsulated oil-in-water type emulsion composition AJINOMOTO CO., INC. (JP) 2013-12-31 US disclosed
EP-1980237-B1 GELLING AGENT AJINOMOTO KK (JP) 2013-10-02 EP disclosed
US-7850955-B2 contain a specific N-acylamino acid monoamide monoalkyl ester; do not cause sweating while retaining a practical level of gel strength; good spreadability, and good fittability to skin; antiperspirants AJINOMOTO CO., INC. (JP) 2010-12-14 US disclosed
CN-101365415-A Gelling agent AJINOMOTO KK (JP) 2009-02-11 CN disclosed
US-20080311164-A1 GELLING AGENT AJINOMOTO CO. INC (JP) 2008-12-18 US disclosed
EP-1980237-A1 GELLING AGENT Ajinomoto Co., Inc. (JP) 2008-10-15 EP disclosed
US-20070265347-A1 ENCAPSULATED OIL-IN-WATER TYPE EMULSION COMPOSITION AJINOMOTO CO. INC (JP) 2007-11-15 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 (2 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-20070265347-A1 ENCAPSULATED OIL-IN-WATER TYPE EMULSION COMPOSITION AGPAT2, GPR18, AGPAT5 KMT2A 1159/4885NOD1 3457/4885POLB 872/4885
US-20080311164-A1 GELLING AGENT CUTA, NAAA, ASIC1 KMT2A 616/4885NOD1 3559/4885POLB 2341/4885

“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.