SCHEMBL9915355

SCHEMBL9915355

CCCCOc1cn(OCCCC)c(CO)cc1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 3/20 0.38
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 1/20 0.33
PDE4B Q07343 1/20 0.32
ATM Q13315 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL9915322 0.86 CYP1A2 (0.34) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL16748752 0.85 TP53 (0.34) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL9915359 0.84 COMT (0.40) COMTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL16748757 0.83 S1PR2 (0.33) ALDH1A1MAPTMEN1NPC1GAA
SCHEMBL12949557 0.82 COMT (0.39) COMTGAATP53PDE4B
SCHEMBL9915356 0.80 MEN1 (0.33) ALDH1A1MAPTMEN1NPC1GAA
SCHEMBL15279057 0.80 TP53 (0.33) ALDH1A1MEN1GAAKMT2AL3MBTL1
SCHEMBL9915302 0.79 TP53 (0.40) ALDH1A1TP53
SCHEMBL9915353 0.77 KMT2A (0.41) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL9915301 0.77 TDP1 (0.36) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT

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 COMT 1386/4885CYP1A2 957/4885CYP2C9 975/4885
US-20150148326-A1 Monobactams MGAM, MGAM2, BPGM COMT 1386/4885CYP1A2 957/4885CYP2C9 975/4885
US-20120302542-A1 MONOBACTAMS MGAM, MGAM2, BPGM COMT 1386/4885CYP1A2 957/4885CYP2C9 975/4885

“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.