SCHEMBL15865613

SCHEMBL15865613

COC(=O)CNCCNCC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
TSHR P16473 5/20 0.42
TET2 Q6N021 1/20 0.41
RECQL P46063 1/20 0.40
HSD17B10 Q99714 2/20 0.39
CA12 O43570 2/20 0.35
CA14 Q9ULX7 2/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 3/20 0.32
LMNA P02545 2/20 0.32
EPHX2 P34913 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CA2 P00918 1/20 0.32
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 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
SCHEMBL12329903 0.90 GAA (0.55) GAAMGAMSIMGAM2TSHR
SCHEMBL2361759 0.90 TSHR (0.50) GAAMGAMSIMGAM2TSHR
Hydrochloric Acid SCHEMBL15855934 0.85 TSHR (0.46) GAAMGAMSIMGAM2TSHR
SCHEMBL13969418 0.84 TSHR (0.52) GAAMGAMSIMGAM2TSHR
SCHEMBL18293019 0.81 TSHR (0.42) GAAMGAMSIMGAM2TSHR
SCHEMBL73416 0.79 TSHR (0.56) GAAMGAMSIMGAM2TSHR
SCHEMBL18407102 0.79 MAOA (0.40) GAAMGAMSIMGAM2CA12
SCHEMBL5680390 0.78
SCHEMBL9103721 0.78
SCHEMBL10667342 0.78 TSHR (0.57) GAAMGAMSIMGAM2TSHR

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-8772446-B2 Bifunctional chelating agents NORDION (CANADA) INC. (CA) 2014-07-08 US disclosed
US-20110313130-A1 BIFUNCTIONAL CHELATING AGENTS NORDION (CANADA) INC. 2011-12-22 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 (1 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-20110313130-A1 BIFUNCTIONAL CHELATING AGENTS FCGRT, C1QBP, H1-2 GAA 251/4885MGAM 3530/4885SI 1773/4885

“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.