SCHEMBL9915448

SCHEMBL9915448

C#Cc1cc(=O)c(OCCCC)cn1OCCCC

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30

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 0.76 CYP1A2 (0.34) PDE4BTDP1ALDH1A1MAPTMEN1
SCHEMBL9915355 0.76 COMT (0.38) PDE4BTDP1ALDH1A1MAPTMEN1
SCHEMBL9915301 0.76 TDP1 (0.36) PDE4BTDP1ALDH1A1MAPTMEN1
SCHEMBL9915302 0.75 TP53 (0.40) ALDH1A1TP53
SCHEMBL16748757 0.74 S1PR2 (0.33) TDP1ALDH1A1MAPTMEN1NPC1
SCHEMBL16748752 0.73 TP53 (0.34) PDE4BTDP1ALDH1A1MAPTMEN1
SCHEMBL9915356 0.71 MEN1 (0.33) ALDH1A1MAPTMEN1NPC1GAA
SCHEMBL16747451 0.69 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ATP53LMNA
SCHEMBL15279057 0.69 TP53 (0.33) TDP1ALDH1A1MEN1GAAKMT2A
SCHEMBL9915353 0.69 KMT2A (0.41) TDP1ALDH1A1MAPTNPC1RAB9A

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 PDE4B 1780/4885TDP1 4806/4885ALDH1A1 1829/4885
US-20150148326-A1 Monobactams MGAM, MGAM2, BPGM PDE4B 1780/4885TDP1 4806/4885ALDH1A1 1829/4885
US-20120302542-A1 MONOBACTAMS MGAM, MGAM2, BPGM PDE4B 1780/4885TDP1 4806/4885ALDH1A1 1829/4885

“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.