SCHEMBL5962998

SCHEMBL5962998

CCCCCO[C@@H]1[C@H](OP(=O)(OCCC#N)N(C(C)C)C(C)C)[C@@H](C(O)C(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[C@H]1n1cnc2c(=O)[nH]c(NC(=O)C(C)C)nc21

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
TYMP P19971 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
IMPDH2 P12268 1/20 0.30
IMPDH1 P20839 1/20 0.30
HPGD P15428 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
SCHEMBL5963301 0.99 KDM4E (0.37) KDM4ETAS1R3TAS1R1TYMPALDH1A1
SCHEMBL5963135 0.96 KDM4E (0.38) KDM4ETAS1R3TAS1R1TYMPALDH1A1
SCHEMBL5963034 0.94 KDM4E (0.38) KDM4ETAS1R3TAS1R1TYMPALDH1A1
SCHEMBL5963030 0.93 KDM4E (0.36) KDM4ETAS1R3TAS1R1TYMP
SCHEMBL31293731 0.90 TYMP (0.42) KDM4ETAS1R3TAS1R1TYMPALDH1A1
SCHEMBL6929166 0.89 KDM4E (0.37) KDM4ETAS1R3TAS1R1TYMPALDH1A1
SCHEMBL6934734 0.88 KDM4E (0.37) KDM4ETAS1R3TAS1R1TYMPALDH1A1
SCHEMBL5963153 0.85 TYMP (0.42) KDM4ETAS1R3TAS1R1TYMPALDH1A1
SCHEMBL6929037 0.85 KDM4E (0.38) KDM4ETAS1R3TAS1R1TYMPALDH1A1
SCHEMBL7243585 0.85 TYMP (0.42) KDM4ETAS1R3TAS1R1TYMPALDH1A1

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-7101993-B1 Oligonucleotides containing 2′-O-modified purines ISIS PHARMACEUTICALS, INC. (US) 2006-09-05 US disclosed
US-20040048826-A1 Oligonucleotides containing 2'-0-modified purines ISIS PHARMACEUTICALS, INC. 2004-03-11 US disclosed
US-5506351-A Process for the preparation of 2'-O-alkyl guanosine and related compounds ISIS PHARMACEUTICALS (US) 1996-04-09 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-20040048826-A1 Oligonucleotides containing 2'-0-modified purines NSUN2, RNMT, HNRNPL KDM4E 2006/4885TAS1R3 2968/4885TAS1R1 2474/4885

“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.