SCHEMBL3423348

SCHEMBL3423348

CCC(O)N1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.45
HSD17B10 Q99714 1/20 0.42
S1PR1 P21453 1/20 0.37
SIGMAR1 Q99720 2/20 0.35
TACR1 P25103 3/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
CACNA2D1 P54289 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNB1 Q02641 1/20 0.33
CACNA1C Q13936 1/20 0.33

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
SCHEMBL28656724 0.81 SLC6A9 (0.45) SLC6A9HSD17B10S1PR1TACR1ALDH1A1
SCHEMBL22215016 0.81 SLC6A9 (0.45) SLC6A9HSD17B10S1PR1TACR1ALDH1A1
SCHEMBL20281030 0.81 SLC18A3 (0.45) SLC6A9HSD17B10S1PR1ALDH1A1KDM4E
SCHEMBL20822500 0.81 SLC6A9 (0.45) SLC6A9HSD17B10S1PR1TACR1ALDH1A1
SCHEMBL1270438 0.80 SLC6A9 (0.47) SLC6A9HSD17B10S1PR1SIGMAR1TACR1
SCHEMBL14516299 0.80 SLC6A9 (0.47) SLC6A9HSD17B10S1PR1SIGMAR1TACR1
SCHEMBL12156548 0.79 SLC6A9 (0.44) SLC6A9HSD17B10S1PR1SIGMAR1TACR1
SCHEMBL408919 0.79 SLC6A9 (0.44) SLC6A9HSD17B10S1PR1SIGMAR1TACR1
SCHEMBL7593926 0.79 SLC6A9 (0.44) SLC6A9HSD17B10S1PR1SIGMAR1TACR1
SCHEMBL12156561 0.79 SLC6A9 (0.44) SLC6A9HSD17B10S1PR1SIGMAR1TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8697034-B2 Hyperpolarized 89-yttrium and methods relating thereto THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-04-15 US claimed
US-20100092396-A1 HYPERPOLARIZED 89-YTTRIUM AND METHODS RELATING THERETO THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-04-15 US claimed
CN-110286168-B Method for determining polyamino polycarboxyl compound in developer 浙江普利药业有限公司 2023-03-03 CN disclosed
US-8697034-B2 Hyperpolarized 89-yttrium and methods relating thereto THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-04-15 US disclosed
US-20100092396-A1 HYPERPOLARIZED 89-YTTRIUM AND METHODS RELATING THERETO THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-04-15 US disclosed
EP-1890604-A1 X-RAY ARRANGEMENT FOR THE IMAGE REPRESENTATION OF AN EXAMINATION OBJECT AND USE OF THE X-RAY ARRANGEMENT Bayer Schering Pharma AG (DE) 2008-02-27 EP disclosed
US-20070025514-A1 X-ray arrangement for graphic display of an object under examination and use of the x-ray arrangement BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-01 US disclosed
WO-2006131175-A1 X-RAY ARRANGEMENT FOR THE IMAGE REPRESENTATION OF AN EXAMINATION OBJECT AND USE OF THE X-RAY ARRANGEMENT BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-12-14 WO disclosed
CN-1208338-C Contrast enhancement agent of magnetic resonance imaging radiography for metal fullerene as well as its preparing method and usage ZHAO YULIANG (CN) 2005-06-29 CN disclosed
EP-0527131-A1 CHELANTS NYCOMED SALUTAR, INC. (US) 1993-02-17 EP disclosed
WO-1991010645-A2 CHELANTS COCKBAIN, JULIAN, RODERICK, MICHAELSON (GB) 1991-07-25 WO 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-20100092396-A1 HYPERPOLARIZED 89-YTTRIUM AND METHODS RELATING THERETO TSPO, IPO11, SLC30A5 SLC6A9 312/4885HSD17B10 3624/4885S1PR1 768/4885

“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.