SCHEMBL2570595

SCHEMBL2570595

CCCCOc1ccccc1-c1ccc(CN)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.53
MAPK1 P28482 1/20 0.53
RAB9A P51151 1/20 0.53
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
KDM4E B2RXH2 3/20 0.49
CYP19A1 P11511 1/20 0.48
ADRB2 P07550 3/20 0.48
HTR7 P34969 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TAAR1 Q96RJ0 1/20 0.43
TLR8 Q9NR97 1/20 0.42
ADRB1 P08588 1/20 0.42
MCHR1 Q99705 1/20 0.42
CNR2 P34972 1/20 0.42
PDE5A O76074 1/20 0.42
PDE4A P27815 1/20 0.42

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
SCHEMBL2573378 0.95 TP53 (0.51) TP53MAPK1RAB9ACYP1A2CYP2C9
SCHEMBL2571712 0.92 TP53 (0.54) TP53MAPK1RAB9ACYP1A2CYP2C9
SCHEMBL28290206 0.85 PTPRC (0.53) TP53MAPK1RAB9AADRB2HTR7
SCHEMBL2572079 0.84 ADRB2 (0.54) TP53MAPK1RAB9AKDM4EADRB2
Ammonia Solution, Strong SCHEMBL9905559 0.84 PTPRC (0.51) TP53MAPK1RAB9AADRB2HTR7
SCHEMBL10706756 0.83 ADRB2 (0.65) TP53MAPK1RAB9ACYP1A2CYP2C9
SCHEMBL12967984 0.82 SYK (0.55) TP53MAPK1RAB9ACYP1A2CYP2C9
SCHEMBL12967949 0.81 GCGR (0.57) TP53MAPK1RAB9ACYP1A2CYP2C9
SCHEMBL11332389 0.80 KDM4E (0.48) TP53MAPK1RAB9AKDM4EADRB2
SCHEMBL28142366 0.79 LTA4H (0.56) TP53CYP1A2CYP2C9CYP2C19KDM4E

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 TP53 2626/4885MAPK1 2412/4885RAB9A 1174/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP TP53 1804/4885MAPK1 2755/4885RAB9A 1226/4885

“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.