SCHEMBL733920

SCHEMBL733920

CC(C)N(C(C)C)P(OCCC#N)O[C@H]1C[C@H](n2cnc3c(=O)[nH]c(NC(=O)COc4ccc(C(C)(C)C)cc4)nc32)O[C@@H]1COC(=O)c1ccccc1C(=O)Oc1ccccc1C#N

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
TAS1R3 Q7RTX0 2/20 0.31
TAS1R1 Q7RTX1 2/20 0.31
POLA1 P09884 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
SCHEMBL733738 0.86 KDM4E (0.41) KDM4ETAS1R3TAS1R1POLA1
SCHEMBL735108 0.86 POLA1 (0.41) KDM4ETAS1R3TAS1R1POLA1
SCHEMBL442576 0.82 KDM4E (0.38) KDM4ETAS1R3TAS1R1
SCHEMBL754765 0.79 RNMT (0.32)
SCHEMBL753363 0.78 POLB (0.34)
SCHEMBL733918 0.78 RNASE1 (0.41)
SCHEMBL753349 0.78 RNASE1 (0.41)
SCHEMBL21620265 0.78 KDM4E (0.43) KDM4ETAS1R3TAS1R1POLA1
SCHEMBL6275071 0.77 KDM4E (0.38) KDM4ETAS1R3TAS1R1
SCHEMBL732905 0.77 KDM4E (0.43) KDM4ETAS1R3TAS1R1POLA1

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-8138330-B2 Solid phase synthesis via deblocking immobilized nucleoside, then coupling acyl protected nucleoside phosphoramidite SIGMA-ALDRICH CO. LLC (US) 2012-03-20 US disclosed
US-20080064867-A1 PROCESS FOR THE SYNTHESIS OF OLIGONUCLEOTIDES SIGMA ALDRICH COMPANY (US) 2008-03-13 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-20080064867-A1 PROCESS FOR THE SYNTHESIS OF OLIGONUCLEOTIDES RNGTT, DUT, ADAR KDM4E 1717/4885TAS1R3 4448/4885TAS1R1 4365/4885

“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.