SCHEMBL6408734

SCHEMBL6408734

N=C(N)NCCOCCOCCOC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
TDP1 Q9NUW8 2/20 0.50
LMNA P02545 2/20 0.47
ALDH1A1 P00352 4/20 0.45
HPGD P15428 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
F10 P00742 1/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
KMT2A Q03164 2/20 0.41
MAPK1 P28482 2/20 0.41
HIF1A Q16665 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL6415536 1.00 SMN1; SMN2 (0.56) SMN1; SMN2TDP1LMNAALDH1A1HPGD
SCHEMBL6408925 0.91 TDP1 (0.56) SMN1; SMN2TDP1LMNAALDH1A1HPGD
SCHEMBL6407958 0.85 TDP1 (0.62) SMN1; SMN2TDP1LMNAALDH1A1HPGD
SCHEMBL6414886 0.84 TDP1 (0.65) TDP1LMNAALDH1A1HPGDNPC1
SCHEMBL6409485 0.83 SMN1; SMN2 (0.54) SMN1; SMN2TDP1LMNAALDH1A1HPGD
Nitric Acid SCHEMBL29562689 0.83 KMT2A (0.51) SMN1; SMN2TDP1LMNAALDH1A1HPGD
SCHEMBL6409434 0.83 SMN1; SMN2 (0.54) SMN1; SMN2TDP1LMNAALDH1A1HPGD
SCHEMBL6407865 0.83 TDP1 (0.63) TDP1LMNAALDH1A1HPGDNPC1
Hydrochloric Acid SCHEMBL30395417 0.83 TDP1 (0.63) SMN1; SMN2TDP1LMNAALDH1A1HPGD
SCHEMBL6414315 0.83 TDP1 (0.63) TDP1LMNAALDH1A1HPGDNPC1

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 SMN1; SMN2 1934/4885TDP1 369/4885LMNA 1665/4885
US-20050249692-A1 Polymer, cosmetic composition comprising same and method of preparing same DNMT1, TET2, H1-0 SMN1; SMN2 1772/4885TDP1 669/4885LMNA 743/4885

“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.