SCHEMBL800304

SCHEMBL800304

COc1ccc(C(O[C@H]2[C@H](C)[C@@H]([C@H](C)O)O[C@H]2n2ccc(=O)[nH]c2=O)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
DUT P33316 4/20 0.35
P2RY2 P41231 3/20 0.35
P2RY12 Q9H244 3/20 0.35
TYMP P19971 1/20 0.34
P2RY6 Q15077 1/20 0.34
SLC28A1 O00337 1/20 0.34
SLC28A2 O43868 1/20 0.34
SLC29A1 Q99808 1/20 0.34
SLC28A3 Q9HAS3 1/20 0.34

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
SCHEMBL800758 1.00 P2RY14 (0.38) P2RY14TDP1DUTP2RY2P2RY12
SCHEMBL780531 0.92 P2RY14 (0.38) P2RY14TDP1DUTP2RY2TYMP
SCHEMBL781934 0.92 P2RY14 (0.38) P2RY14TDP1DUTP2RY2TYMP
SCHEMBL21475705 0.90 P2RY14 (0.43) P2RY14P2RY2TYMPP2RY6SLC28A1
SCHEMBL21461830 0.81 P2RY14 (0.41) P2RY14P2RY2TYMPP2RY6SLC28A1
SCHEMBL21475782 0.81 TDP1 (0.42) P2RY14TDP1P2RY2P2RY12P2RY6
SCHEMBL800303 0.80 TYMP (0.34) P2RY14P2RY2TYMPP2RY6
SCHEMBL800718 0.80 TYMP (0.34) P2RY14P2RY2TYMPP2RY6
SCHEMBL781654 0.80 SLC28A1 (0.47) P2RY14DUTP2RY2P2RY12TYMP
SCHEMBL781655 0.80 SLC28A1 (0.47) P2RY14DUTP2RY2P2RY12TYMP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 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-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NTPCR, NUDT1 P2RY14 93/4885TDP1 403/4885DUT 17/4885

“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.