SCHEMBL5353889

SCHEMBL5353889

CCCCCCCCCCCCCCCCCCNC(=O)CN(C)C

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.62
DNM1 Q05193 2/20 0.61
NAAA Q02083 1/20 0.58
EPHX1 P07099 7/20 0.57
FAAH O00519 2/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ZDHHC20 Q5W0Z9 1/20 0.48
ZDHHC2 Q9UIJ5 1/20 0.48

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
SCHEMBL31620140 1.00 CASP2 (0.62) CASP2DNM1NAAAEPHX1FAAH
SCHEMBL29312927 1.00 CASP2 (0.62) CASP2DNM1NAAAEPHX1FAAH
SCHEMBL1826713 1.00 CASP2 (0.62) CASP2DNM1NAAAEPHX1FAAH
SCHEMBL18871729 1.00 CASP2 (0.62) CASP2DNM1NAAAEPHX1FAAH
SCHEMBL31620138 1.00 CASP2 (0.62) CASP2DNM1NAAAEPHX1FAAH
SCHEMBL18402599 1.00 CASP2 (0.62) CASP2DNM1NAAAEPHX1FAAH
SCHEMBL13123173 1.00 CASP2 (0.62) CASP2DNM1NAAAEPHX1FAAH
Hydrochloric Acid SCHEMBL11416125 0.98 CASP2 (0.60) CASP2DNM1NAAAEPHX1FAAH
SCHEMBL13970681 0.92 DNM1 (0.55) CASP2DNM1NAAAEPHX1FAAH
SCHEMBL1828419 0.92 MEN1 (0.52) CASP2DNM1NAAAEPHX1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9155914-B2 Composition for external application to skin KAO CORPORATION (JP) 2015-10-13 US disclosed
US-9155914-B2 Composition for external application to skin KAO CORPORATION (JP) 2015-10-13 US disclosed
US-20100273875-A1 Composition for External Application to Skin KAO CORPORATION (JP) 2010-10-28 US disclosed
US-20100273875-A1 Composition for External Application to Skin KAO CORPORATION (JP) 2010-10-28 US disclosed
US-20070111923-A1 SULFURIC ACID AMINE SALT, SULFONIC ACID AMINE SALT, PRODUCTION THEREOF AND SOFTENER COMPOSITION KONO JUN 2007-05-17 US disclosed
US-20070111923-A1 SULFURIC ACID AMINE SALT, SULFONIC ACID AMINE SALT, PRODUCTION THEREOF AND SOFTENER COMPOSITION KONO JUN 2007-05-17 US disclosed
US-7179783-B2 Sulfuric acid amine salt, sulfonic acid amine salt, production thereof and softener composition KAO CORPORATION (JP) 2007-02-20 US disclosed
US-7179783-B2 Sulfuric acid amine salt, sulfonic acid amine salt, production thereof and softener composition KAO CORPORATION (JP) 2007-02-20 US disclosed
US-20060116314-A1 Sulfuric acid amine salt, sulfonic acid amine salt, production thereof and softener composition KONO JUN 2006-06-01 US disclosed
US-20040023831-A1 Sulfuric acid amine salt, sulfonic acid amine salt, production thereof and softener composition KAO CORPORATION (JP) 2004-02-05 US disclosed
EP-1354872-A1 Sulfuric acid ester amine salts, sulfonic acid amine salts, production thereof and softener composition KAO CORPORATION (JP) 2003-10-22 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 (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-20100273875-A1 Composition for External Application to Skin CUTA, COL14A1, COL2A1 CASP2 4516/4885DNM1 3572/4885NAAA 2198/4885

“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.