SCHEMBL17026404

SCHEMBL17026404

COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(=O)n(CC=C(C)CCC=C(C)CCC=C(C)C)c3=O)C[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYMP P19971 4/20 0.41
TYMS P04818 1/20 0.36
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32
TUBB6 Q9BUF5 1/20 0.32
TUBB2B Q9BVA1 1/20 0.32
TUBB1 Q9H4B7 1/20 0.32

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
SCHEMBL17026403 1.00 TYMP (0.41) TYMPTYMSTUBB4ATUBBTUBA3C
SCHEMBL16964341 0.99 TYMP (0.42) TYMPTYMS
SCHEMBL16964340 0.99 TYMP (0.42) TYMPTYMS
SCHEMBL21049968 0.88 TYMP (0.34) TYMPTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16963996 0.87 TYMP (0.35) TYMPTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL17026520 0.83 TYMP (0.30) TYMP
SCHEMBL17026522 0.83 TYMP (0.30) TYMP
SCHEMBL17026455 0.82 TYMP (0.30) TYMP
SCHEMBL17026454 0.82 TYMP (0.30) TYMP
SCHEMBL17026489 0.81 TYMP (0.54) TYMPTYMS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900681-B1 PHARMACEUTICAL COMPOSITION COMPRISING LIPOPHILIC NUCLEOSIDES IONOVATION GMBH (DE) 2019-07-10 EP disclosed
US-20190175633-A1 REACTIVE, LIPOPHILIC NUCLEOSIDE BUILDING BLOCKS FOR THE SYNTHESIS OF HYDROPHOBIC NUCLEIC ACIDS IONOVATION GMBH (DE) 2019-06-13 US disclosed
US-20150240295-A1 REACTIVE, LIPOPHILIC NUCLEOSIDE BUILDING BLOCKS FOR THE SYNTHESIS OF HYDROPHOBIC NUCLEIC ACIDS IONOVATION GMBH (DE) 2015-08-27 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 (2 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-20150240295-A1 REACTIVE, LIPOPHILIC NUCLEOSIDE BUILDING BLOCKS FOR THE SYNTHESIS OF HYDROPHOBIC NUCLEIC ACIDS NCL, NOP2, POLRMT TYMP 30/4885TYMS 40/4885TUBB4A 1018/4885
US-20190175633-A1 REACTIVE, LIPOPHILIC NUCLEOSIDE BUILDING BLOCKS FOR THE SYNTHESIS OF HYDROPHOBIC NUCLEIC ACIDS NCL, NOP2, HNRNPD TYMP 79/4885TYMS 76/4885TUBB4A 1061/4885

“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.