SCHEMBL4364972

SCHEMBL4364972

COc1ccc(C(NC[C@@H](COCc2cccc3ccccc23)OC(=O)NCCCCCCO)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MTNR1A P48039 6/20 0.36
MTNR1B P49286 4/20 0.36
NQO2 P16083 1/20 0.36
HPGD P15428 1/20 0.35
MCL1 Q07820 1/20 0.35
TGM2 P21980 1/20 0.35
MAPT P10636 1/20 0.35
MMP9 P14780 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34

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
SCHEMBL4370978 0.86 NPC1 (0.41) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL4364314 0.79 NPC1 (0.43) TDP1ALDH1A1KMT2A
SCHEMBL4366632 0.78 CASR (0.50) PTPN1ADRB2ADRB1ADRB3TDP1
SCHEMBL4359150 0.72 NPC1 (0.45) TDP1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL10309879 0.70 KIF11 (0.45) KDM4EMEN1KMT2A
SCHEMBL8053146 0.70 KIF11 (0.45) KDM4EMEN1KMT2A
SCHEMBL6302955 0.70 KIF11 (0.45) KDM4EMEN1KMT2A
SCHEMBL4366635 0.65 CASR (0.46) ADRB2ADRB1ADRB3TDP1L3MBTL1
SCHEMBL4366631 0.65 CASR (0.46) ADRB2ADRB1ADRB3TDP1L3MBTL1
SCHEMBL9439820 0.65 KIF11 (0.47) KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1908829-B1 OLIGONUCLEOTIDE PROBE NAT INST OF ADVANCED IND SCIEN (JP) 2014-01-08 EP disclosed
US-7491857-B2 Oligonucleotide probe NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2009-02-17 US disclosed
US-20080227968-A1 Oligonucleotide Probe NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2008-09-18 US disclosed
EP-1908829-A1 OLIGONUCLEOTIDE PROBE National Institute of Advanced Industrial Science and Technology (JP) 2008-04-09 EP 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-20080227968-A1 Oligonucleotide Probe APEX1, RNGTT, RNASEH1 PTPN1 3999/4885ADRB2 918/4885ADRB1 417/4885

“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.