SCHEMBL3411985

SCHEMBL3411985

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.53
ADORA3 P0DMS8 4/20 0.53
HSP90B1 P14625 4/20 0.45
HSP90AA1 P07900 3/20 0.45
ADORA2B P29275 3/20 0.45
ADORA1 P30542 3/20 0.45
AHCY P23526 4/20 0.45
TSHR P16473 4/20 0.44
MAPK1 P28482 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP2C19 P33261 1/20 0.44
TMIGD3 P0DMS9 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MEN1 O00255 1/20 0.44
CYP2C9 P11712 1/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
BLM P54132 1/20 0.44
EHMT1 Q9H9B1 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
SCHEMBL3411906 0.93 ADORA2A (0.50) ADORA2AADORA3AHCYRXFP1EHMT1
SCHEMBL3414697 0.89 ADORA2A (0.52) ADORA2AADORA3HSP90B1HSP90AA1ADORA2B
SCHEMBL11703712 0.88 ADORA2A (0.54) ADORA2AADORA3HSP90B1HSP90AA1ADORA2B
SCHEMBL3409898 0.88 ADORA2A (0.53) ADORA2AADORA3HSP90B1HSP90AA1ADORA2B
SCHEMBL6298549 0.88 ADORA2A (0.53) ADORA2AADORA3HSP90B1HSP90AA1ADORA2B
SCHEMBL11701245 0.87 ADORA2A (0.53) ADORA2AADORA3HSP90B1HSP90AA1ADORA2B
SCHEMBL3408365 0.84 ADORA2A (0.54) ADORA2AADORA3ADORA2BADORA1AHCY
SCHEMBL6864727 0.83 ADORA2A (0.54) ADORA2AADORA3HSP90B1HSP90AA1ADORA2B
SCHEMBL6299609 0.82 ADORA2A (0.54) ADORA2AADORA3ADORA2BADORA1AHCY
SCHEMBL3409866 0.81 ADA (0.51) ADORA2AADORA3TSHRLMNABLM

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-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
US-8344115-B2 Immunoassay for specific determination of S-adenosylmethionine and analogs thereof in biological samples HAO, XIUJUAN 2013-01-01 US 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
WO-2009131643-A1 IMMUNOASSAY FOR SPECIFIC DETERMINATION OF S-ADENOSYMETHIONINE AND ANALOGS THEREOF IN BIOLOGICAL SAMPLES MONABIO, INC. (US) 2009-10-29 WO disclosed
US-20090263879-A1 Immunoassay for specific determination of S-adenosylmethionine and analogs thereof in biological samples HAO, XIUJUAN 2009-10-22 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 (4 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-20090263879-A1 Immunoassay for specific determination of S-adenosylmethionine and analogs thereof in biological samples AHCY, MAT2A, MAT1A ADORA2A 128/4885ADORA3 100/4885HSP90B1 3628/4885
US-20070258921-A1 PROCESS FOR DEPIGMENTING THE SKIN TYR, CUTA, NQO1 ADORA2A 3810/4885ADORA3 4081/4885HSP90B1 3263/4885
US-20070237734-A1 ANTI-WRINKLE COSMETIC COMPOSITION ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA3 2/4885HSP90B1 4413/4885
US-20100168049-A1 COMBINATION OF MONOSACCHARIDES AND ADENOSINE AND USE THEREOF ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA3 3/4885HSP90B1 4555/4885

“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.