SCHEMBL2564573

SCHEMBL2564573

NCc1ccc(-c2ccccc2OCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.59
RXRB P28702 1/20 0.59
RXRG P48443 1/20 0.59
MAOB P27338 1/20 0.57
MCL1 Q07820 1/20 0.52
MAPK1 P28482 2/20 0.51
MAPT P10636 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TP53 P04637 1/20 0.51
RAB9A P51151 1/20 0.51
PTGER1 P34995 8/20 0.51
PTGER4 P35408 5/20 0.51
PTGER3 P43115 5/20 0.51
PTGER2 P43116 5/20 0.51
TAAR1 Q96RJ0 1/20 0.50
CFD P00746 1/20 0.47
PLG P00747 1/20 0.47
PLAU P00749 1/20 0.47
F11 P03951 1/20 0.47

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
SCHEMBL13738963 0.86 RXRA (0.71) RXRARXRBRXRGMAOBMCL1
SCHEMBL13740358 0.86 RXRA (0.75) RXRARXRBRXRGMAOBMCL1
SCHEMBL201074 0.86 RXRA (0.70) RXRARXRBRXRGMAOBMCL1
SCHEMBL3786776 0.85 MAPT (0.58) RXRARXRBRXRGMAOBMCL1
SCHEMBL2573344 0.82 CSNK2A1 (0.54) RXRARXRBRXRGMAOBPTGER1
SCHEMBL19141517 0.82 RXRA (0.61) RXRARXRBRXRGMAOBMAPK1
SCHEMBL28290206 0.81 PTPRC (0.53) RXRARXRBRXRGMAPK1MAPT
SCHEMBL10093045 0.81 SYK (0.63) RXRARXRBRXRGMAOBMCL1
SCHEMBL13739157 0.81 RXRA (0.59) RXRARXRBRXRGMAOBMCL1
Ammonia Solution, Strong SCHEMBL9905559 0.80 PTPRC (0.51) RXRARXRBRXRGMAPK1MAPT

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
EP-1813623-B1 PURINENUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2011-11-09 EP disclosed
US-20100249054-A9 PURINE NUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-30 US disclosed
US-7795236-B2 Purine nucleoside derivative modified in 8-position and medical use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-14 US disclosed
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1813623-A1 PURINENUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2007-08-01 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 (2 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-20100249054-A9 PURINE NUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICAL USE THEREOF NUDT1, PNP, SLC28A2 RXRA 452/4885RXRB 691/4885RXRG 616/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP RXRA 386/4885RXRB 615/4885RXRG 506/4885

“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.