SCHEMBL12438437

SCHEMBL12438437

CCN1CCCN(COC=O)CCN(COC=O)CCCN(CC(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.34
CHRM1 P11229 1/20 0.33
HSD11B1 P28845 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
S1PR1 P21453 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
SCHEMBL12438440 0.95 HSD17B10 (0.38) HSD17B10MEN1KMT2AKDM4EALDH1A1
SCHEMBL12747959 0.92 HSD17B10 (0.40) HSD17B10ALDH1A1GAASIGMAR1S1PR1
SCHEMBL12747962 0.87 HSD17B10 (0.44) HSD17B10S1PR1
SCHEMBL10000701 0.87 HSD17B10 (0.44) HSD17B10S1PR1
SCHEMBL10000706 0.87 HSD17B10 (0.44) HSD17B10S1PR1
SCHEMBL10251711 0.87 HSD17B10 (0.44) HSD17B10S1PR1
SCHEMBL14477672 0.87 SIGMAR1 (0.43) HSD17B10KMT2AALDH1A1LMNAGAA
SCHEMBL12747966 0.86 HSD17B10 (0.36) HSD17B10GAA
SCHEMBL12018073 0.86 HSD17B10 (0.36) HSD17B10GAA
SCHEMBL12018091 0.84 HSD17B10 (0.37) HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9217009-B2 Version of FDG detectable by single-photon emission computed tomography MALLINCKRODT LLC (US) 2015-12-22 US disclosed
US-20140378677-A1 VERSION OF FDG DETECTABLE BY SINGLE-PHOTON EMISSION COMPUTED TOMOGRAPHY MALLINCKRODT VETERINARY, INC. 2014-12-25 US disclosed
US-8858916-B2 Metal chelate linked to a hexose carrier for use as a metallopharmaceutical diagnostic or therapeutic agent MALLINCKRODT LLC (US) 2014-10-14 US disclosed
US-20110177004-A1 Version of FDG Detectable by Single-Photon Emission Computed Tomography OCERA THERAPEUTICS LLC (F/K/A OCERA THERAPEUTICS, INC.) 2011-07-21 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-20110177004-A1 Version of FDG Detectable by Single-Photon Emission Computed Tomography SLC2A1, SLC2A4, SLC2A3 HSD17B10 1865/4885MEN1 398/4885KMT2A 2498/4885
US-20140378677-A1 VERSION OF FDG DETECTABLE BY SINGLE-PHOTON EMISSION COMPUTED TOMOGRAPHY SLC2A1, SLC2A4, SLC2A3 HSD17B10 1865/4885MEN1 398/4885KMT2A 2498/4885

“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.