SCHEMBL7069679

SCHEMBL7069679

COc1ccc(C(OC[C@H]2O[C@@H](n3cc(CCCN)c(NC(=O)c4ccccc4)nc3=O)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYMP P19971 2/20 0.42
TMIGD3 P0DMS9 3/20 0.38
TYMS P04818 1/20 0.37
POLB P06746 1/20 0.37
DNMT1 P26358 4/20 0.35
DNMT3B Q9UBC3 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
ADORA1 P30542 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
SCHEMBL7069682 1.00 TYMP (0.42) TYMPTMIGD3TYMSPOLBDNMT1
SCHEMBL8169445 0.88 TYMP (0.39) TYMPTMIGD3TYMSPOLBDNMT1
SCHEMBL261967 0.88 TYMP (0.46) TYMPTMIGD3TYMSPOLBADORA3
SCHEMBL21828786 0.88 TYMP (0.46) TYMPTMIGD3TYMSPOLBADORA3
SCHEMBL22984016 0.88 TYMP (0.46) TYMPTMIGD3TYMSPOLBADORA3
SCHEMBL3510678 0.85 TYMP (0.43) TYMPTMIGD3TYMSPOLBADORA3
SCHEMBL3510681 0.85 TYMP (0.43) TYMPTMIGD3TYMSPOLBADORA3
SCHEMBL5358852 0.82 POLB (0.56) TYMPTYMSPOLBADORA3
SCHEMBL5925303 0.82 POLB (0.56) TYMPTYMSPOLBADORA3
SCHEMBL21504687 0.81 POLB (0.40) TYMPTMIGD3POLBADORA3ADORA1

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-20030092046-A1 Guanidinium functionalized oligomers and methods MANOHARAN MUTHIAH (US) 2003-05-15 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-20030092046-A1 Guanidinium functionalized oligomers and methods RNMT, RNGTT, ADAR TYMP 571/4885TMIGD3 2619/4885TYMS 673/4885

“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.