SCHEMBL9915301

SCHEMBL9915301

CCCCOc1cn(OCCCC)c(C=O)cc1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PDE4B Q07343 2/20 0.35
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
PTPN1 P18031 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TP53 P04637 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL9915355 0.77 COMT (0.38) TDP1GAAL3MBTL1PDE4BALDH1A1
SCHEMBL9915322 0.77 CYP1A2 (0.34) TDP1GAAL3MBTL1PDE4BALDH1A1
SCHEMBL9915302 0.76 TP53 (0.40) ALDH1A1PTPN1TP53
SCHEMBL9915448 0.76 PDE4B (0.32) TDP1GAAL3MBTL1PDE4BALDH1A1
SCHEMBL16748757 0.75 S1PR2 (0.33) TDP1GAAL3MBTL1ALDH1A1MAPT
SCHEMBL16748752 0.74 TP53 (0.34) TDP1GAAL3MBTL1PDE4BALDH1A1
SCHEMBL9915356 0.72 MEN1 (0.33) GAAL3MBTL1ALDH1A1MAPTMEN1
SCHEMBL15279057 0.70 TP53 (0.33) TDP1GAAL3MBTL1ALDH1A1KDM4E
SCHEMBL16747451 0.70 ALDH1A1 (0.40) ALDH1A1LMNANPSR1MEN1KMT2A
SCHEMBL9915353 0.70 KMT2A (0.41) TDP1L3MBTL1ALDH1A1MAPTNPSR1

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
US-20150148326-A1 Monobactams PFIZER (US) 2015-05-28 US disclosed
EP-2646436-B1 MONOBACTAMS PFIZER (US) 2015-05-27 EP disclosed
US-20130252935-A1 Monobactams PFIZER INC. (US) 2013-09-26 US disclosed
US-20120302542-A1 MONOBACTAMS PFIZER INC 2012-11-29 US disclosed
WO-2012073138-A1 MONOBACTAMS PFIZER INC. (US) 2012-06-07 WO 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 (3 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-20130252935-A1 Monobactams MGAM, MGAM2, BPGM TDP1 4806/4885GAA 1414/4885L3MBTL1 1495/4885
US-20150148326-A1 Monobactams MGAM, MGAM2, BPGM TDP1 4806/4885GAA 1414/4885L3MBTL1 1495/4885
US-20120302542-A1 MONOBACTAMS MGAM, MGAM2, BPGM TDP1 4806/4885GAA 1414/4885L3MBTL1 1495/4885

“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.