SCHEMBL661575

SCHEMBL661575

O=C(O)CN1CCCN(CC(=O)O)CCCN(CC(=O)O)CCC1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.58
GAA P10253 1/20 0.48
ALDH1A1 P00352 5/20 0.44
CYP1A2 P05177 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLC6A9 P48067 1/20 0.40
HTT P42858 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
MAPT P10636 2/20 0.37
NPC1 O15118 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
ACE P12821 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL1661688 1.00
SCHEMBL6473560 1.00 HSD17B10 (0.58) HSD17B10GAAALDH1A1CYP1A2MAPK1
SCHEMBL893723 0.97 HSD17B10 (0.56) HSD17B10GAAALDH1A1CYP1A2MAPK1
SCHEMBL21454626 0.97 HSD17B10 (0.56) HSD17B10GAAALDH1A1CYP1A2MAPK1
SCHEMBL1065178 0.97 HSD17B10 (0.56) HSD17B10GAAALDH1A1CYP1A2MAPK1
Hydrochloric Acid SCHEMBL18980658 0.97
SCHEMBL17512849 0.97 HSD17B10 (0.56) HSD17B10GAAALDH1A1CYP1A2MAPK1
SCHEMBL321552 0.97 HSD17B10 (0.56) HSD17B10GAAALDH1A1CYP1A2MAPK1
SCHEMBL454245 0.97 HSD17B10 (0.56) HSD17B10GAAALDH1A1CYP1A2MAPK1
SCHEMBL336249 0.97 HSD17B10 (0.56) HSD17B10GAAALDH1A1CYP1A2MAPK1

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 177 patents — showing the first 20. 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
EP-2394639-B1 Hyperthermic technologies and therapeutic uses thereof UNIV WAKE FOREST HEALTH SCIENCES (US) 2014-07-30 EP claimed
US-20130142735-A1 In Vivo Mitochondrial Labeling Using Positively-CHarged Nitroxide Enhanced and Gadolinum Chelate Enhanced Magnetic Resonance Imaging KALYANARAMAN BALARAMAN (US) 2013-06-06 US claimed
US-20100316566-A1 RADIOLABELED HEDGEHOG DERIVATIVES FOR IMAGING AND THERAPY RADIOMEDIX INC. (US) 2010-12-16 US claimed
WO-2009108868-A2 RADIOLABELED HEDGEHOG DERIVATIVES FOR IMAGING AND THERAPY RADIOMEDIX INC. (US) 2009-09-03 WO claimed
US-20090214437-A1 In Vivo Mitochondrial Labeling Using Positively-Charged Nitroxide Enhanced and Gadolinium Chelate Enhanced Magnetic Resonance Imaging MEDICAL COLLEGE OF WISCONSIN RESEARCH FOUNDATION (US) 2009-08-27 US claimed
US-20050026929-A1 Novel phenyl derivatives as inducers of apoptosis AXYS PHARMACEUTICALS, INC. (US) 2005-02-03 US claimed
US-6806363-B1 DRUGS FOR DIAGNOSIS/THERAPY; RADIONUCLIDE-BASED TUMOR IMAGING MAYO FOUNDATION FOR MEDICAL EDUCATION & RESEARCH 2004-10-19 US claimed
US-6613305-B1 Cobalamin or derivative complexed with a chelating group associated with a radioactive metal for tumor and organ imaging MAYO FOUNDATION FOR MEDICAL EDUCATION & RESEARCH 2003-09-02 US claimed
US-10227376-B2 Radiolabeled cationic steroid antimicrobials and diagnostic methods BRIGHAM YOUNG UNIVERSITY (US) 2019-03-12 US disclosed
US-20170096472-A1 ALBUMIN FUSION PROTEINS HUMAN GENOME SCIENCES, INC. 2017-04-06 US disclosed
US-20160152687-A1 ALBUMIN FUSION PROTEINS HUMAN GENOME SCIENCES, INC. 2016-06-02 US disclosed
US-9296809-B2 Albumin fusion proteins HUMAN GENOME SCIENCES, INC. (US) 2016-03-29 US disclosed
EP-2990417-A1 ALBUMIN INSULIN FUSION PROTEIN Human Genome Sciences, Inc. (US) 2016-03-02 EP disclosed
EP-0883627-A1 RADIONUCLIDE LABELING OF VITAMIN B12 AND COENZYMES THEREOF MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 1998-12-16 EP disclosed
US-5739313-A FOR IN VIVO IMAGING OF ORGANS AND TUMORS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1998-04-14 US disclosed
WO-1997018231-A1 RADIONUCLIDE LABELING OF VITAMIN B12 AND COENZYMES THEREOF MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 1997-05-22 WO disclosed
US-4639365-A Gadolinium chelates as NMR contrast agents THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1987-01-27 US disclosed
US-4639365-A Gadolinium chelates as NMR contrast agents THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1987-01-27 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 (7 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-20130142735-A1 In Vivo Mitochondrial Labeling Using Positively-CHarged Nitroxide Enhanced and Gadolinum Chelate Enhanced Magnetic Resonance Imaging NME4, GLS, CS HSD17B10 3731/4885GAA 259/4885ALDH1A1 4646/4885
US-20050026929-A1 Novel phenyl derivatives as inducers of apoptosis BAX, BAD, CASP3 HSD17B10 1592/4885GAA 1718/4885ALDH1A1 1781/4885
US-20160152687-A1 ALBUMIN FUSION PROTEINS ALB, FABP1, HDGF HSD17B10 3544/4885GAA 334/4885ALDH1A1 2350/4885
US-20100316566-A1 RADIOLABELED HEDGEHOG DERIVATIVES FOR IMAGING AND THERAPY SHH, GLI1, SMO HSD17B10 2915/4885GAA 2066/4885ALDH1A1 825/4885
US-20090214437-A1 In Vivo Mitochondrial Labeling Using Positively-Charged Nitroxide Enhanced and Gadolinium Chelate Enhanced Magnetic Resonance Imaging NME4, NLN, CS HSD17B10 2984/4885GAA 416/4885ALDH1A1 4716/4885
US-10227376-B2 Radiolabeled cationic steroid antimicrobials and diagnostic methods SERPINA6, CALCA, MYADM HSD17B10 1917/4885GAA 2669/4885ALDH1A1 4826/4885
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.