SCHEMBL780352

SCHEMBL780352

COc1ccc(C(O[C@H]2[C@@H](OC)[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYMP P19971 5/20 0.45
TK2 O00142 3/20 0.45
RNASE1 P07998 1/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
ALB P02768 1/20 0.41
POLB P06746 1/20 0.41
ADRA1A P35348 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL31723505 0.92 TYMP (0.43) TYMPTK2RNASE1
SCHEMBL25403441 0.91 TYMP (0.44) TYMPTK2RNASE1ALDH1A1LMNA
SCHEMBL25400439 0.91 TYMP (0.44) TYMPTK2RNASE1ALDH1A1LMNA
SCHEMBL781655 0.86 SLC28A1 (0.47) TYMPTK2
SCHEMBL781654 0.86 SLC28A1 (0.47) TYMPTK2
SCHEMBL7702799 0.84 TYMP (0.54) TYMPTK2
SCHEMBL22984025 0.84 TYMP (0.54) TYMPTK2
SCHEMBL7702801 0.84 TYMP (0.54) TYMPTK2
SCHEMBL25400695 0.82 HSP90AA1 (0.43) TYMPTK2LMNA
SCHEMBL7708532 0.82 TYMP (0.46) TYMPTK2

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 TYMP 4/4885TK2 77/4885RNASE1 304/4885

“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.