SCHEMBL893723

SCHEMBL893723

O=C(O)CN1CCCN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.83

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.56
GAA P10253 1/20 0.46
ALDH1A1 P00352 4/20 0.43
SLC6A9 P48067 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SIGMAR1 Q99720 2/20 0.39
S1PR1 P21453 1/20 0.38
HTT P42858 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL3504659 1.00 HSD17B10 (0.56) HSD17B10GAAALDH1A1SLC6A9CYP1A2
SCHEMBL1065178 1.00 HSD17B10 (0.56) HSD17B10GAAALDH1A1SLC6A9CYP1A2
SCHEMBL21454626 1.00 HSD17B10 (0.56) HSD17B10GAAALDH1A1SLC6A9CYP1A2
SCHEMBL454245 1.00 HSD17B10 (0.56) HSD17B10GAAALDH1A1SLC6A9CYP1A2
SCHEMBL321552 1.00 HSD17B10 (0.56) HSD17B10GAAALDH1A1SLC6A9CYP1A2
SCHEMBL336249 1.00 HSD17B10 (0.56) HSD17B10GAAALDH1A1SLC6A9CYP1A2
SCHEMBL17512849 1.00 HSD17B10 (0.56) HSD17B10GAAALDH1A1SLC6A9CYP1A2
SCHEMBL21320722 0.97 HSD17B10 (0.54) HSD17B10GAAALDH1A1SLC6A9CYP1A2
SCHEMBL1661688 0.97
SCHEMBL661575 0.97 HSD17B10 (0.58) HSD17B10GAAALDH1A1SLC6A9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10227376-B2 Radiolabeled cationic steroid antimicrobials and diagnostic methods BRIGHAM YOUNG UNIVERSITY (US) 2019-03-12 US claimed
US-20160052959-A1 RADIOLABELED CATIONIC STEROID ANTIMICROBIALS AND DIAGNOSTIC METHODS BRIGHAM YOUNG UNIVERSITY (US) 2016-02-25 US claimed
US-20120082728-A1 MULTIFUNCTIONAL STEALTH NANOPARTICULES FOR BIOMEDICAL USE UNIVERSITE DE STRASBOURG (FR) 2012-04-05 US claimed
EP-2389199-A2 MULTIFUNCTIONAL STEALTH NANOPARTICLES FOR BIOMEDICAL USE THE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2011-11-30 EP claimed
WO-2010084157-A2 MULTIFUNCTIONAL STEALTH NANOPARTICLES FOR BIOMEDICAL USE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-07-29 WO claimed
EP-2210616-A1 Multifunctional stealth nanoparticles for biomedical use Centre National de la Recherche Scientifique (FR) 2010-07-28 EP claimed
US-10227376-B2 Radiolabeled cationic steroid antimicrobials and diagnostic methods BRIGHAM YOUNG UNIVERSITY (US) 2019-03-12 US disclosed
US-20160052959-A1 RADIOLABELED CATIONIC STEROID ANTIMICROBIALS AND DIAGNOSTIC METHODS BRIGHAM YOUNG UNIVERSITY (US) 2016-02-25 US disclosed
US-20120082728-A1 MULTIFUNCTIONAL STEALTH NANOPARTICULES FOR BIOMEDICAL USE UNIVERSITE DE STRASBOURG (FR) 2012-04-05 US disclosed
US-20120009124-A1 USE OF BUFFERS FOR RADIONUCLIDE COMPLEXATION GUERBET (FR) 2012-01-12 US disclosed
US-20120009124-A1 USE OF BUFFERS FOR RADIONUCLIDE COMPLEXATION GUERBET (FR) 2012-01-12 US disclosed
EP-2389199-A2 MULTIFUNCTIONAL STEALTH NANOPARTICLES FOR BIOMEDICAL USE THE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2011-11-30 EP disclosed
WO-2010084157-A2 MULTIFUNCTIONAL STEALTH NANOPARTICLES FOR BIOMEDICAL USE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-07-29 WO disclosed
EP-2210616-A1 Multifunctional stealth nanoparticles for biomedical use Centre National de la Recherche Scientifique (FR) 2010-07-28 EP 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 (4 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-20120009124-A1 USE OF BUFFERS FOR RADIONUCLIDE COMPLEXATION CA5B, CA3, CA1 HSD17B10 915/4885GAA 157/4885ALDH1A1 3513/4885
US-10227376-B2 Radiolabeled cationic steroid antimicrobials and diagnostic methods SERPINA6, CALCA, MYADM HSD17B10 1917/4885GAA 2669/4885ALDH1A1 4826/4885
US-20120082728-A1 MULTIFUNCTIONAL STEALTH NANOPARTICULES FOR BIOMEDICAL USE EPHA2, CD47, MSN HSD17B10 4202/4885GAA 943/4885ALDH1A1 2590/4885
US-20160052959-A1 RADIOLABELED CATIONIC STEROID ANTIMICROBIALS AND DIAGNOSTIC METHODS SERPINA6, CALCA, CALCB HSD17B10 1937/4885GAA 2661/4885ALDH1A1 4826/4885

“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.