SCHEMBL3511040

SCHEMBL3511040

CC#Cc1cn([C@H]2C[C@H](O)[C@@H](COC(c3ccccc3)(c3ccc(OC)cc3)c3ccc(OC)cc3)O2)c(=O)nc1N

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TYMP P19971 4/20 0.48
TYMS P04818 1/20 0.39
DNMT1 P26358 5/20 0.36
POLB P06746 1/20 0.36
ADRB1 P08588 1/20 0.35
DNMT3B Q9UBC3 1/20 0.35

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
SCHEMBL3511989 0.88 TYMP (0.44) TYMPTYMS
SCHEMBL3511991 0.88 TYMP (0.44) TYMPTYMS
SCHEMBL262080 0.88 TYMP (0.51) TYMPTYMSDNMT1POLBADRB1
SCHEMBL6391314 0.88 TYMP (0.51) TYMPTYMSDNMT1POLBADRB1
SCHEMBL17747092 0.87 TYMP (0.51) TYMPTYMSDNMT1POLBADRB1
SCHEMBL3510678 0.87 TYMP (0.43) TYMPTYMSPOLB
SCHEMBL3510681 0.87 TYMP (0.43) TYMPTYMSPOLB
SCHEMBL26647607 0.84 TYMS (0.53) TYMPTYMS
SCHEMBL26647537 0.84 TYMS (0.53) TYMPTYMS
SCHEMBL6885492 0.83 POLB (0.53) TYMPTYMSDNMT1POLBADRB1

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-20100290992-A1 NANOPARTICLE NUCLEIC ACID BINDING COMPOUND CONJUGATES FORMING I-MOTIFS ROCHE DIAGNOSTICS GMBH (DE) 2010-11-18 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-20100290992-A1 NANOPARTICLE NUCLEIC ACID BINDING COMPOUND CONJUGATES FORMING I-MOTIFS POLM, IGF2BP1, POLRMT TYMP 479/4885TYMS 785/4885DNMT1 7/4885

“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.