SCHEMBL13628931

SCHEMBL13628931

CCCN(CCN(CC(C)=O)CC(C)=O)CC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALOX15 P16050 2/20 0.46
TSHR P16473 2/20 0.46
CHRM2 P08172 2/20 0.46
LMNA P02545 1/20 0.46
ADRA2A P08913 1/20 0.46
DRD1 P21728 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
CYP2C19 P33261 1/20 0.46
ADRA1A P35348 1/20 0.46
DRD3 P35462 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
EYA2 O00167 1/20 0.42
APP P05067 1/20 0.42
ACE P12821 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
SCHEMBL9558006 0.95 CA12 (0.44) TDP1KDM4EALOX15TSHRCHRM2
SCHEMBL2672346 0.95 TRPA1 (0.45) TDP1KDM4EALOX15TSHRCHRM2
Hydrochloric Acid SCHEMBL3941283 0.92 TRPA1 (0.43) TDP1KDM4EALOX15TSHRCHRM2
SCHEMBL12191702 0.89 TDP1 (0.55) TDP1KDM4EALOX15TSHRCHRM2
SCHEMBL22043677 0.89 TDP1 (0.58) TDP1KDM4EALOX15TSHRCHRM2
SCHEMBL3639097 0.87 TDP1 (0.53) TDP1KDM4EALOX15TSHRCHRM2
SCHEMBL20244235 0.86 CA12 (0.45) TDP1TRPA1CA12CA9CA2
SCHEMBL18184571 0.85 CA12 (0.41) TDP1TSHRCHRM2EYA2APP
SCHEMBL8058556 0.84 CA12 (0.37) TDP1KDM4EALOX15TSHRCHRM2
SCHEMBL3636303 0.84 TDP1 (0.50) TDP1KDM4EALOX15TSHRCHRM2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2017-11-02 US disclosed
US-20090285780-A1 PEG LINKER COMPOUNDS AND BIOLOGICALLY ACTIVE CONJUGATES THEREOF LEE CHYI 2009-11-19 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 (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-20090285780-A1 PEG LINKER COMPOUNDS AND BIOLOGICALLY ACTIVE CONJUGATES THEREOF MSN, MPEG1, GNE TDP1 4531/4885KDM4E 2397/4885ALOX15 415/4885
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR HDGF, F11, F12 TDP1 4223/4885KDM4E 4115/4885ALOX15 200/4885

“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.