SCHEMBL12056703

SCHEMBL12056703

COc1ccc(C(OCC2OC(C)CC2OP(OCCOCCN)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 1/20 0.32
▸ KIF11 P52732 3/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ SLC6A1 P30531 2/20 0.30
▸ SLC6A11 P48066 1/20 0.30

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
SCHEMBL14064224 0.94 TYMP (0.34) TYMPSLC6A1SLC6A11
SCHEMBL14064222 0.87 TYMP (0.31) TYMP
SCHEMBL12765859 0.87 TYMP (0.32) TYMPSLC6A1SLC6A11
SCHEMBL13374809 0.87 TYMP (0.32) TYMPSLC6A1SLC6A11
SCHEMBL13329991 0.87 TYMP (0.32) TYMPSLC6A1SLC6A11
SCHEMBL12056704 0.86 NQO2 (0.32) TYMPSLC6A1SLC6A11
SCHEMBL24829632 0.78 TYMP (0.32) TYMPSLC6A1SLC6A11
SCHEMBL25747161 0.78 TYMP (0.32) TYMPSLC6A1SLC6A11
SCHEMBL14005196 0.77 TYMP (0.31) TYMP
SCHEMBL21901427 0.76 RNASE1 (0.40) —

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-8084589-B2 Phosphoramidite nucleoside analogs UNIVERSITY OF MASSACHUSETTS (US) 2011-12-27 — — US disclosed
US-20090136940-A1 PHOSPHORAMIDITE NUCLEOSIDE ANALOGS UNIVERSITY OF MASSACHUSETTS (US) 2009-05-28 — — 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-20090136940-A1 PHOSPHORAMIDITE NUCLEOSIDE ANALOGS TYMP, PNP, TYMS TYMP 1/4885KIF11 3368/4885KCNH2 4858/4885

“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.

Send feedback