SCHEMBL3065836

SCHEMBL3065836

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYMP P19971 11/20 0.47
P2RY6 Q15077 4/20 0.42
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
P2RY14 Q15391 2/20 0.40
NT5E P21589 1/20 0.40
TMIGD3 P0DMS9 1/20 0.37
ADORA3 P0DMS8 2/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL3065837 1.00 TYMP (0.47) TYMPP2RY6ALDH1A1HTTP2RY14
SCHEMBL29531167 0.94 TYMP (0.46) TYMPP2RY6ALDH1A1HTTP2RY14
SCHEMBL261395 0.94 TYMP (0.46) TYMPP2RY6ALDH1A1HTTP2RY14
SCHEMBL3070612 0.93 TYMP (0.54) TYMPP2RY6ALDH1A1HTTP2RY14
SCHEMBL3070618 0.93 TYMP (0.54) TYMPP2RY6ALDH1A1HTTP2RY14
SCHEMBL3076275 0.92 TYMP (0.45) TYMPP2RY6ALDH1A1HTTP2RY14
SCHEMBL13714387 0.92 TYMP (0.45) TYMPP2RY6ALDH1A1HTTP2RY14
SCHEMBL3076277 0.92 TYMP (0.45) TYMPP2RY6ALDH1A1HTTP2RY14
SCHEMBL13204998 0.92 TYMP (0.45) TYMPP2RY6ALDH1A1HTTP2RY14
SCHEMBL21552240 0.92 TYMP (0.47) TYMPP2RY6P2RY14NT5ETMIGD3

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
US-7772387-B2 Oligonucleotides comprising a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS (US) 2010-08-10 US disclosed
US-7579451-B2 Oligonucleotides comprising a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS, INC. (US) 2009-08-25 US disclosed
US-20060035254-A1 Oligonucleotides comprising a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS, INC. (US) 2006-02-16 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-20060035254-A1 Oligonucleotides comprising a modified or non-natural nucleobase NT5C3B, DERA, DUT TYMP 27/4885P2RY6 121/4885ALDH1A1 1623/4885

“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.