SCHEMBL3411906

SCHEMBL3411906

CCCCCCCC(=O)C(O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@]2(O)C(C)(C)[C@]12O

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.50
ADORA3 P0DMS8 1/20 0.50
EHMT1 Q9H9B1 1/20 0.47
AHCY P23526 2/20 0.45
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL3411985 0.93 ADORA2A (0.53) ADORA2AADORA3EHMT1AHCYRXFP1
SCHEMBL3409898 0.86 ADORA2A (0.53) ADORA2AADORA3AHCY
SCHEMBL3409866 0.86 ADA (0.51) ADORA2AADORA3EHMT1
SCHEMBL11703712 0.85 ADORA2A (0.54) ADORA2AADORA3AHCY
SCHEMBL6298549 0.84 ADORA2A (0.53) ADORA2AADORA3AHCY
SCHEMBL11701245 0.84 ADORA2A (0.53) ADORA2AADORA3AHCY
SCHEMBL3414697 0.82 ADORA2A (0.52) ADORA2AADORA3EHMT1AHCYRXFP1
SCHEMBL3408365 0.81 ADORA2A (0.54) ADORA2AADORA3EHMT1AHCY
SCHEMBL3412263 0.81 HINT1 (0.55) ADORA2AADORA3
SCHEMBL6864727 0.80 ADORA2A (0.54) ADORA2AADORA3AHCY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1878470-B1 Skin depigmentation method OREAL (FR) 2009-03-11 EP claimed
EP-1878470-A1 Skin depigmentation method L'Oréal (FR) 2008-01-16 EP claimed
US-20070258921-A1 PROCESS FOR DEPIGMENTING THE SKIN L'OREAL (FR) 2007-11-08 US claimed
EP-1847547-A1 Anti-wrinkle cosmetic composition L'Oréal (FR) 2007-10-24 EP claimed
US-20070237734-A1 ANTI-WRINKLE COSMETIC COMPOSITION L'OREAL (FR) 2007-10-11 US claimed
EP-2204154-B1 Association of monosaccharides and adenosine and its cosmetic use ORÉAL L (FR) 2016-10-12 EP disclosed
EP-2204154-A1 Association of monosaccharides and adenosine and its cosmetic use L'OREAL (FR) 2010-07-07 EP disclosed
US-20100168049-A1 COMBINATION OF MONOSACCHARIDES AND ADENOSINE AND USE THEREOF L'OREAL (FR) 2010-07-01 US disclosed
EP-1878470-B1 Skin depigmentation method OREAL (FR) 2009-03-11 EP disclosed
EP-1878470-A1 Skin depigmentation method L'Oréal (FR) 2008-01-16 EP disclosed
US-20070258921-A1 PROCESS FOR DEPIGMENTING THE SKIN L'OREAL (FR) 2007-11-08 US disclosed
EP-1847547-A1 Anti-wrinkle cosmetic composition L'Oréal (FR) 2007-10-24 EP disclosed
US-20070237734-A1 ANTI-WRINKLE COSMETIC COMPOSITION L'OREAL (FR) 2007-10-11 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 (3 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-20070258921-A1 PROCESS FOR DEPIGMENTING THE SKIN TYR, CUTA, NQO1 ADORA2A 3810/4885ADORA3 4081/4885EHMT1 321/4885
US-20070237734-A1 ANTI-WRINKLE COSMETIC COMPOSITION ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA3 2/4885EHMT1 1085/4885
US-20100168049-A1 COMBINATION OF MONOSACCHARIDES AND ADENOSINE AND USE THEREOF ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA3 3/4885EHMT1 3018/4885

“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.