SCHEMBL3414711

SCHEMBL3414711

CCCC(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(OC)C1OC

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.55
HSP90B1 P14625 1/20 0.54
EGFR P00533 1/20 0.52
ERBB2 P04626 1/20 0.52
PRKACA P17612 2/20 0.51
EHMT1 Q9H9B1 1/20 0.51
AHCY P23526 3/20 0.51
MARS1 P56192 1/20 0.51
ADORA1 P30542 1/20 0.50
GSK3A P49840 1/20 0.49
RPS6KA3 P51812 1/20 0.49
MAPK14 Q16539 1/20 0.49

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
SCHEMBL12801415 1.00 ADORA3 (0.55) ADORA3HSP90B1EGFRERBB2PRKACA
SCHEMBL2483993 0.93 ADORA3 (0.60) ADORA3HSP90B1PRKACAMARS1ADORA1
SCHEMBL10587742 0.87 AHCY (0.61) ADORA3HSP90B1PRKACAEHMT1AHCY
SCHEMBL6536429 0.87 HSP90B1 (0.57) HSP90B1PRKACAAHCYMARS1ADORA1
SCHEMBL10586454 0.87 PRKACA (0.67) ADORA3HSP90B1PRKACAEHMT1AHCY
SCHEMBL6536155 0.87 PRKACA (0.67) ADORA3HSP90B1PRKACAEHMT1AHCY
SCHEMBL21999054 0.84 ADORA3 (0.56) ADORA3EGFRERBB2EHMT1AHCY
SCHEMBL12360836 0.84 ADORA3 (0.56) ADORA3EGFRERBB2EHMT1AHCY
SCHEMBL12376385 0.84 ADORA3 (0.56) ADORA3EGFRERBB2EHMT1AHCY
SCHEMBL12801365 0.83 GAA (0.54) ADORA3HSP90B1EHMT1AHCYADORA1

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 ADORA3 4081/4885HSP90B1 3263/4885EGFR 4705/4885
US-20070237734-A1 ANTI-WRINKLE COSMETIC COMPOSITION ADORA2A, ADORA3, ADORA1 ADORA3 2/4885HSP90B1 4413/4885EGFR 3728/4885
US-20100168049-A1 COMBINATION OF MONOSACCHARIDES AND ADENOSINE AND USE THEREOF ADORA2A, ADORA1, ADORA3 ADORA3 3/4885HSP90B1 4555/4885EGFR 3762/4885

“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.