SCHEMBL13698377

SCHEMBL13698377

CN1CCN(CC=O)CCN(CC=O)CCN(CC=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.38
MC4R P32245 1/20 0.35
SIGMAR1 Q99720 3/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.32
CHKA P35790 1/20 0.31
HTR1A P08908 1/20 0.31
MEN1 O00255 1/20 0.31
RAD52 P43351 1/20 0.31
KMT2A Q03164 1/20 0.31
ERN1 O75460 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
SCHEMBL18351064 1.00 PAOX (0.38) PAOXMC4RSIGMAR1ALDH1A1LMNA
SCHEMBL1655253 1.00 PAOX (0.38) PAOXMC4RSIGMAR1ALDH1A1LMNA
SCHEMBL27020232 0.91 PAOX (0.33) PAOXMC4RSIGMAR1ALDH1A1HTR1A
Acetic Acid SCHEMBL6625112 0.89 PAOX (0.44) PAOXMC4RALDH1A1CYP1A2TDP1
SCHEMBL28374092 0.86
SCHEMBL24335650 0.84 HSD17B10 (0.41) PAOXSIGMAR1ALDH1A1LMNATSHR
SCHEMBL2561626 0.80 DRD2 (0.39) SIGMAR1MEN1KMT2A
SCHEMBL4072907 0.80 L3MBTL1 (0.39) SIGMAR1ALDH1A1RAD52KMT2A
SCHEMBL4067143 0.80 CACNA2D1 (0.43) SIGMAR1
SCHEMBL29300025 0.79 SMN1; SMN2 (0.35) ALDH1A1TDP1MEN1RAD52KMT2A

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-20090238768-A1 MULTIMERIC MAGNETIC RESONANCE CONTRAST AGENTS AXELSSON OSKAR 2009-09-24 US disclosed
US-20080292551-A1 Method to Produce Hyperpolarised Carboxylates GE HEALTHCARE AS (NO) 2008-11-27 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-20090238768-A1 MULTIMERIC MAGNETIC RESONANCE CONTRAST AGENTS MAG, MSR1, FABP7 PAOX 989/4885MC4R 2486/4885SIGMAR1 927/4885
US-20080292551-A1 Method to Produce Hyperpolarised Carboxylates PAM, OAT, TSPO PAOX 244/4885MC4R 815/4885SIGMAR1 94/4885

“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.