SCHEMBL6409457

SCHEMBL6409457

CC(=O)OCCOCCNC(=N)N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 4/20 0.35
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
PGR P06401 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
HTR1A P08908 1/20 0.34
CHRNB2 P17787 1/20 0.34
TBXA2R P21731 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRNA10 Q9GZZ6 1/20 0.34
CHRNA9 Q9UGM1 1/20 0.34

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
SCHEMBL6416662 1.00 ALDH1A1 (0.47) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL6411344 0.89 MEN1 (0.41) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL21670453 0.85 THRB (0.54) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL6408896 0.81 ALDH1A1 (0.47) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL6415017 0.81 ALDH1A1 (0.46) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL6410586 0.81 ALDH1A1 (0.46) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL6408519 0.80 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL8781068 0.79 ALDH1A1 (0.44) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL8781125 0.79 ALDH1A1 (0.44) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL15919075 0.79 MEN1 (0.36) MEN1KMT2ASMN1; SMN2CA2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 537/4885TSHR 3024/4885MEN1 317/4885
US-20050249692-A1 Polymer, cosmetic composition comprising same and method of preparing same DNMT1, TET2, H1-0 ALDH1A1 1198/4885TSHR 2711/4885MEN1 390/4885

“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.