SCHEMBL2452175

SCHEMBL2452175

O=C(OCC1CC(O)C1COC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.51
CES2 O00748 1/20 0.49
TDP1 Q9NUW8 2/20 0.49
CHRNA7 P36544 2/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNA5 P30532 1/20 0.48
CHRNA4 P43681 1/20 0.48
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
NPC1 O15118 2/20 0.47
LMNA P02545 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.43
ATM Q13315 1/20 0.43
CARM1 Q86X55 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
SCHEMBL2452177 1.00 PPM1B (0.51) PPM1BCES2TDP1CHRNA7CHRNB2
SCHEMBL9172397 1.00 PPM1B (0.51) PPM1BCES2TDP1CHRNA7CHRNB2
SCHEMBL20691933 0.92 CES2 (0.49) PPM1BCES2TDP1CHRNA7CHRNB2
SCHEMBL13286850 0.86 PPM1B (0.56) PPM1BCES2TDP1CHRNA7CHRNB2
SCHEMBL8191270 0.85 PPM1B (0.52) PPM1BCES2TDP1CHRNA7CHRNB2
SCHEMBL8183690 0.85 PPM1B (0.52) PPM1BCES2TDP1CHRNA7CHRNB2
SCHEMBL13031119 0.81 PPM1B (0.47) PPM1BCES2TDP1CHRNA7CHRNB2
SCHEMBL9118362 0.81 ALDH1A1 (0.51) PPM1BCES2TDP1CHRNA7CHRNB2
SCHEMBL2023266 0.81 ALDH1A1 (0.51) PPM1BCES2TDP1CHRNA7CHRNB2
SCHEMBL2022684 0.81 ALDH1A1 (0.51) PPM1BCES2TDP1CHRNA7CHRNB2

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
US-9273050-B2 Cyclobutyl purine derivative, angiogenesis promoting agent, lumen formation promoting agent, neurocyte growth promoting agent, and drug NATIONAL UNIVERSITY CORPORATION KAGAWA UNIVERSITY (JP) 2016-03-01 US disclosed
EP-2377865-B1 CYCLOBUTYL PURINE DERIVATIVE, ANGIOGENESIS PROMOTING AGENT, LUMENIZATION PROMOTING AGENT, NEUROCYTE GROWTH PROMOTING AGENT, AND DRUG UNIV KAGAWA NAT UNIV CORP (JP) 2014-12-17 EP disclosed
EP-2377865-A1 CYCLOBUTYL PURINE DERIVATIVE, ANGIOGENESIS PROMOTING AGENT, LUMENIZATION PROMOTING AGENT, NEUROCYTE GROWTH PROMOTING AGENT, AND DRUG National University Corporation Kagawa University (JP) 2011-10-19 EP disclosed
US-20110230659-A1 CYCLOBUTYL PURINE DERIVATIVE, ANGIOGENESIS PROMOTING AGENT, LUMEN FORMATION PROMOTING AGENT, NEUROCYTE GROWTH PROMOTING AGENT, AND DRUG NATIONAL UNIVERSITY CORPORATION KAGAWA UNIVERSITY (JP) 2011-09-22 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-20110230659-A1 CYCLOBUTYL PURINE DERIVATIVE, ANGIOGENESIS PROMOTING AGENT, LUMEN FORMATION PROMOTING AGENT, NEUROCYTE GROWTH PROMOTING AGENT, AND DRUG DCX, MKI67, SLC29A1 PPM1B 2945/4885CES2 3168/4885TDP1 786/4885

“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.