SCHEMBL5334411

SCHEMBL5334411

CC(Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)C1CCCCC1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.74
ADORA3 P0DMS8 5/20 0.68
ADORA1 P30542 5/20 0.68
ADORA2B P29275 4/20 0.68

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
SCHEMBL5040895 0.86 ADORA2A (0.98) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL13084518 0.84 ADORA2A (0.77) ADORA2AADORA3ADORA2B
SCHEMBL28774024 0.82 ADORA2A (0.83) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL8373455 0.81 ADORA2A (1.00) ADORA2AADORA2B
SCHEMBL7753712 0.81 ADORA2A (1.00) ADORA2AADORA2B
SCHEMBL24652562 0.81 ADORA2A (1.00) ADORA2AADORA2B
SCHEMBL278439 0.81 ADORA2A (1.00) ADORA2AADORA2B
SCHEMBL489384 0.81 ADORA2A (1.00) ADORA2AADORA2B
SCHEMBL22826758 0.81 ADORA2A (1.00) ADORA2AADORA2B
SCHEMBL489378 0.81 ADORA2A (1.00) ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002515885-A 2002-05-28 JP claimed
EP-0880353-A4 COMPOSITIONS AND METHODS FOR MODULATING MELANIN PRODUCTION THERASYS INC (US) 2001-04-18 EP claimed
US-5998423-A IN SKIN OR HAIR; ADMINISTERING ADENOSINE RECEPTOR ANTAGONIST THERASYS, INC. (US) 1999-12-07 US claimed
EP-0880353-A1 COMPOSITIONS AND METHODS FOR MODULATING MELANIN PRODUCTION Therasys, Inc. (US) 1998-12-02 EP claimed
WO-1998015276-A1 COMPOSITIONS AND METHODS FOR MODULATING MELANIN PRODUCTION THERASYS, INC. (US) 1998-04-16 WO claimed
US-20070059269-A1 Administration of 8-hexadecene-1,16-dicarboxylic acid for promoting cohesion of the epidermal horny layer L'OREAL (FR) 2007-03-15 US disclosed
EP-1754513-A2 Use of 8-hexadecene-1,16-dicarboxylic acid as a care agent for promoting the horny layer cohesion L'OREAL (FR) 2007-02-21 EP 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 (1 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-20070059269-A1 Administration of 8-hexadecene-1,16-dicarboxylic acid for promoting cohesion of the epidermal horny layer DSG1, CUTA, DSC1 ADORA2A 4168/4885ADORA3 4055/4885ADORA1 3229/4885

“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.