SCHEMBL91112

SCHEMBL91112

OCC(O)[C@@H](CO)OCn1cnc2c(Cl)ncnc21

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.48
P2RX7 Q99572 2/20 0.43
AHCY P23526 3/20 0.41
ADORA2A P29274 3/20 0.41
HDAC6 Q9UBN7 2/20 0.41
FGFR1 P11362 8/20 0.41
FGFR4 P22455 8/20 0.41
ADORA1 P30542 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
NFKB1 P19838 1/20 0.36
BLM P54132 1/20 0.36
VCP P55072 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL14047302 0.91 FDPS (0.45) FDPSP2RX7AHCYADORA2AHDAC6
SCHEMBL14472999 0.85 AHCY (0.60) AHCYADORA2AADORA1ALDH1A1
SCHEMBL10284145 0.85 AHCY (0.60) AHCYADORA2AADORA1ALDH1A1
SCHEMBL14139510 0.77 AHCY (0.56) AHCYADORA2AADORA1ALDH1A1
SCHEMBL13107415 0.75 FDPS (0.47) FDPSAHCYADORA2AHDAC6MEN1
SCHEMBL17425126 0.75 HPRT1 (0.53) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL91115 0.75 CDK1 (0.55) ADORA2AADORA1KMT2ASMN1; SMN2
SCHEMBL10563489 0.74 FDPS (0.50) FDPSP2RX7ADORA2AHDAC6FGFR1
SCHEMBL14472882 0.74 AHCY (0.56) AHCYADORA2AADORA1ALDH1A1CYP3A4
SCHEMBL23323404 0.74 FDPS (0.63) FDPSP2RX7AHCYADORA2AHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129357-B2 N6-(4-hydroxybenzyl)adenosine; Gastrodia extract; neurodegenerative Huntington's disease; trinucleotide repeat disease; hypoglycemic; neurological antiinflammatory; amination of 6-chloropurine ribonucleoside with 4-hydroxybenzylamine; condensation of adenosine with 4-methoxybenzoyl chloride ACADEMIA SINICA (TW) 2012-03-06 US disclosed
US-20080176816-A1 Method of making and using an adenosine analogue ACADEMIA SINICA 2008-07-24 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 (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-20080176816-A1 Method of making and using an adenosine analogue HTT, ADA, GDA FDPS 1450/4885P2RX7 743/4885AHCY 660/4885

“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.