SCHEMBL14955845

SCHEMBL14955845

COc1ccc(C(OC[C@@H](O)Cn2cnc3c(OCc4ccccc4)nc(N)nc32)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGMT P16455 3/20 0.42
ADORA2A P29274 2/20 0.39
HPGD P15428 1/20 0.38
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
AGER Q15109 1/20 0.36
TYMP P19971 1/20 0.36
MPO P05164 2/20 0.36
TPO P07202 1/20 0.36
EPX P11678 1/20 0.36
DAPK1 P53355 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL14955846 1.00 MGMT (0.42) MGMTADORA2AHPGDHSP90AA1HSP90AB1
SCHEMBL2555167 0.84 MGMT (0.51) MGMTADORA2ACYP3A4CYP1A2CYP2D6
SCHEMBL2555484 0.84 MGMT (0.51) MGMTADORA2ACYP3A4CYP1A2CYP2D6
SCHEMBL14659541 0.80 MGMT (0.48) MGMTADORA2ACYP3A4CYP1A2CYP2D6
SCHEMBL14963617 0.80 MGMT (0.51) MGMTADORA2AHPGDCYP3A4CYP1A2
SCHEMBL8898448 0.80 MGMT (0.51) MGMTADORA2AHPGDCYP3A4CYP1A2
SCHEMBL14955424 0.80 NSD3 (0.52) ADORA2AHPGDCYP3A4ADORA1ALDH1A1
SCHEMBL2567895 0.80 NSD3 (0.52) ADORA2AHPGDCYP3A4ADORA1ALDH1A1
SCHEMBL2575266 0.80 HPRT1 (0.57) CYP3A4TYMPALDH1A1MEN1KMT2A
SCHEMBL2575270 0.80 HPRT1 (0.57) CYP3A4TYMPALDH1A1MEN1KMT2A

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-20210087219-A1 OLIGONUCLEOTIDES COMPRISING ACYCLIC AND ABASIC NUCLEOSIDES AND ANALOGS ALNYLAM PHARMACEUTICALS INC (US) 2021-03-25 US disclosed
US-10913767-B2 Oligonucleotides comprising acyclic and abasic nucleosides and analogs ALNYLAM PHARMACEUTICALS, INC. (US) 2021-02-09 US disclosed
US-20130130378-A1 OLIGONUCLEOTIDES COMPRISING ACYCLIC AND ABASIC NUCLEOSIDES AND ANALOGS ALNYLAM PHARMACEUTICALS, INC. (US) 2013-05-23 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 (3 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-10913767-B2 Oligonucleotides comprising acyclic and abasic nucleosides and analogs NSUN2, BCDIN3D, ADAR MGMT 2300/4885ADORA2A 660/4885HPGD 4585/4885
US-20130130378-A1 OLIGONUCLEOTIDES COMPRISING ACYCLIC AND ABASIC NUCLEOSIDES AND ANALOGS ADAR, TYMS, POLM MGMT 815/4885ADORA2A 169/4885HPGD 4151/4885
US-20210087219-A1 OLIGONUCLEOTIDES COMPRISING ACYCLIC AND ABASIC NUCLEOSIDES AND ANALOGS NSUN2, BCDIN3D, RNGTT MGMT 2493/4885ADORA2A 632/4885HPGD 4512/4885

“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.