SCHEMBL3360466

SCHEMBL3360466

CC(=O)OCCN(C)C(=N)N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
ALDH1A1 P00352 6/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.39
CHRM5 P08912 3/20 0.38
CHRM1 P11229 3/20 0.38
CHRM3 P20309 3/20 0.38
CHRNB2 P17787 3/20 0.38
CHRNA4 P43681 3/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
PGR P06401 1/20 0.38
HTR1A P08908 1/20 0.38
TBXA2R P21731 1/20 0.38
CHRNA7 P36544 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6410584 0.91 ALDH1A1 (0.47) NOS3NOS1NOS2ALDH1A1TSHR
SCHEMBL6415013 0.91 ALDH1A1 (0.47) NOS3NOS1NOS2ALDH1A1TSHR
SCHEMBL6408094 0.89 NOS3 (0.49) NOS3NOS1NOS2ALDH1A1TSHR
SCHEMBL6408128 0.87 NOS3 (0.47) NOS3NOS1NOS2ALDH1A1TSHR
SCHEMBL6410016 0.85 NOS3 (0.46) NOS3NOS1NOS2ALDH1A1TSHR
SCHEMBL6936481 0.85 NOS3 (0.46) NOS3NOS1NOS2ALDH1A1TSHR
SCHEMBL16078371 0.79 ALDH1A1 (0.44) ALDH1A1TSHRHTTCHRM5CHRM1
SCHEMBL3361179 0.78 DNM1 (0.47) NOS3NOS1NOS2ALDH1A1CHRM5
SCHEMBL1665883 0.75 ALDH1A1 (0.41) ALDH1A1TSHRHTTCHRM5CHRM1
SCHEMBL3360083 0.74 DNM1 (0.64) NOS3NOS1NOS2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2234965-A1 CREATINOL-FATTY ACID ESTERS Northern Innovations and Formulations Corp. (CA) 2010-10-06 EP disclosed
WO-2009076741-A1 CREATINOL-FATTY ACID ESTERS MULTI FORMULATIONS LTD. (CA) 2009-06-25 WO disclosed
WO-2009076741-A1 CREATINOL-FATTY ACID ESTERS MULTI FORMULATIONS LTD. (CA) 2009-06-25 WO disclosed
US-7476749-B1 Creatinol-fatty acid esters MULTI FORMULATIONS LTD. 2009-01-13 US disclosed
US-7476749-B1 Creatinol-fatty acid esters MULTI FORMULATIONS LTD. 2009-01-13 US disclosed
US-7476749-B1 Creatinol-fatty acid esters MULTI FORMULATIONS LTD. 2009-01-13 US disclosed
US-20050249692-A1 Polymer, cosmetic composition comprising same and method of preparing same MITSUBISHI CHEMICAL CORPORATION 2005-11-10 US disclosed
EP-1462463-A1 Guanidin-group containing polymer, cosmetic employing same and method of preparing same Mitsubishi Chemical Corporation (JP) 2004-09-29 EP disclosed
EP-0805674-B1 SKIN AND HAIR COSMETIC COMPOSITIONS KAO CORP (JP) 2003-03-12 EP disclosed
US-20020172655-A1 Cosmetic-use polymer, cosmetic employing same, and method of preparing same MITSUBISHI CHEMICAL CORPORATION 2002-11-21 US disclosed
EP-1236744-A2 Guanidin-group containing polymer, cosmetic employing same and method of preparing same MITSUBISHI CHEMICAL CORPORATION (JP) 2002-09-04 EP disclosed
US-6348200-B1 OXYALKYLAMIDE OR AMINE DERIVATIVES;AT LEAST ONE OF POLYHYDRIC ALCOHOLS, OR VEGETABLE EXTRACTS, OR ORGANIC ACIDS; IMPROVES WATER-RETAINING ABILITY OF HORNY LAYER, CURES ROUGHNESS AND PREVENTS WRINKLES KAO CORPORATION (JP) 2002-02-19 US disclosed
US-6187955-B1 A MOISTURIZER FOR SOFTENING SKINS; USEFUL AS COMPONENTS OF COSMETIC FORMULATIONS KAO CORPORATION (JP) 2001-02-13 US disclosed
US-5723133-A GUANIDINE WITH ORGANIC ACID FOR SKIN SOFTENING KAO CORPORATION (JP) 1998-03-03 US disclosed
EP-0805674-A1 SKIN AND HAIR COSMETIC COMPOSITIONS Kao Corporation (JP) 1997-11-12 EP disclosed
WO-1997014401-A1 SKIN AND HAIR COSMETIC COMPOSITIONS KAO CORPORATION (JP) 1997-04-24 WO 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-20020172655-A1 Cosmetic-use polymer, cosmetic employing same, and method of preparing same DNMT1, PRMT1, JMJD6 NOS3 912/4885NOS1 178/4885NOS2 339/4885
US-20050249692-A1 Polymer, cosmetic composition comprising same and method of preparing same DNMT1, TET2, H1-0 NOS3 539/4885NOS1 213/4885NOS2 211/4885

“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.