SCHEMBL2569288

SCHEMBL2569288

CC1(C)OB(c2cccc(C(=O)OCc3ccccc3)c2)OC1(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.54
KMT2A Q03164 3/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A3 Q01959 1/20 0.54
RAB9A P51151 10/20 0.52
SMN1; SMN2 Q16637 8/20 0.50
NPC1 O15118 7/20 0.50
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 4/20 0.48
LIPG Q9Y5X9 2/20 0.46
LPL P06858 1/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 4/20 0.45
HTT P42858 1/20 0.44
JMJD6 Q6NYC1 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
P4HB P07237 1/20 0.43

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
SCHEMBL3802569 0.87 KMT2A (0.52) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL16342895 0.86 KMT2A (0.58) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL3802564 0.84 RAB9A (0.48) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL29628435 0.84 LPL (0.47) KMT2ARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL1598557 0.84 LPL (0.47) KMT2ARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL22866678 0.81 ALDH1A1 (0.43) ALDH1A1LIPGLPLJMJD6P4HB
SCHEMBL29535925 0.80 LOXL2 (0.45) RAB9ASMN1; SMN2NPC1ALDH1A1LIPG
SCHEMBL1902494 0.80 LOXL2 (0.45) RAB9ASMN1; SMN2NPC1ALDH1A1LIPG
SCHEMBL29011934 0.79 LIPG (0.53) ALDH1A1LIPGLPLCYP3A4P4HB
SCHEMBL26896299 0.79 LIPG (0.45) ALDH1A1LIPGLPLPOLBDGAT1

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 TDP1 607/4885KMT2A 2172/4885SLC6A2 151/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP TDP1 522/4885KMT2A 1816/4885SLC6A2 153/4885

“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.