SCHEMBL9976047

SCHEMBL9976047

COc1ccc(COc2coc(COc3cccnc3)cc2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.60
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
RECQL P46063 1/20 0.48
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LRRK2 Q5S007 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DRD4 P21917 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40

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
SCHEMBL9976091 0.89 DAO (0.65) DAORAB9ANPC1CYP1A2CYP2C19
SCHEMBL9976089 0.83 NPC1 (0.53) DAORAB9ANPC1CYP1A2CYP2C19
SCHEMBL30876508 0.80 RAB9A (0.60) RAB9ANPC1MAPTNPSR1TDP1
SCHEMBL9976082 0.78 NPC1 (0.44) RAB9ANPC1CYP1A2LRRK2TDP1
SCHEMBL23628928 0.78 NPC1 (0.57) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL103357 0.78 RAB9A (0.76) DAORAB9ANPC1CYP1A2CYP2C19
SCHEMBL9778350 0.78 RAB9A (0.57) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL9976049 0.78 NPC1 (0.57) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL9976048 0.77 NPC1 (0.53) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL23217240 0.74 NPC1 (0.56) RAB9ANPC1CYP1A2CYP2C19RECQL

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546397-B2 DNA methylation inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-10-01 US disclosed
US-8546397-B2 DNA methylation inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-10-01 US disclosed
WO-2012087889-A2 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-28 WO disclosed
US-20120157465-A1 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-21 US disclosed
US-20120157465-A1 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-21 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-20120157465-A1 DNA METHYLATION INHIBITORS MECP2, DNMT1, DNMT3B DAO 2704/4885RAB9A 4038/4885NPC1 2614/4885

“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.