SCHEMBL2733029

SCHEMBL2733029

O=C(O)CN1CCN(CCO)CCN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 1/20 0.46
HSD11B1 P28845 1/20 0.42
TSHR P16473 1/20 0.41
HTT P42858 2/20 0.40
SLC6A9 P48067 1/20 0.40
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL410464 1.00 ALDH1A1 (0.50) ALDH1A1HSD17B10KDM4EHSD11B1TSHR
SCHEMBL1270440 1.00 ALDH1A1 (0.50) ALDH1A1HSD17B10KDM4EHSD11B1TSHR
Hydrochloric Acid SCHEMBL12465553 0.98 ALDH1A1 (0.53) ALDH1A1HSD17B10KDM4EHSD11B1TSHR
SCHEMBL23568185 0.94 ALDH1A1 (0.46) ALDH1A1HSD17B10KDM4EHSD11B1TSHR
SCHEMBL18371474 0.92 ALDH1A1 (0.45) ALDH1A1HSD17B10KDM4ETSHRKMT2A
SCHEMBL22779188 0.90 ALDH1A1 (0.44) ALDH1A1HSD17B10KDM4EHSD11B1TSHR
SCHEMBL23476610 0.90 KDM4E (0.47) ALDH1A1HSD17B10KDM4EHSD11B1TSHR
SCHEMBL23646017 0.87 HSD17B10 (0.62) ALDH1A1HSD17B10KDM4ETSHRSLC6A9
SCHEMBL8742080 0.87 HSD17B10 (0.62) ALDH1A1HSD17B10KDM4ETSHRSLC6A9
SCHEMBL17029294 0.87 ALDH1A1 (0.42) ALDH1A1HSD17B10KDM4EHSD11B1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021123013-A1 SMART DRUG DELIVERY SYSTEM AND PHARMACEUTICAL KIT FOR DUAL NUCLEAR MEDICAL CYTOTOXIC THERANOSTICS Johannes Gutenberg-Universität Mainz (DE) 2021-06-24 WO disclosed
US-10793533-B2 Dimeric contrast agents BRACCO IMAGING S.P.A. (IT) 2020-10-06 US disclosed
US-20200017453-A1 DIMERIC CONTRAST AGENTS BRACCO IMAGING S.P.A. (IT) 2020-01-16 US disclosed
EP-3564218-A1 METHOD FOR PREPARING 1,4,7,10-TETRAAZACYCLODODECANE-1,4,7,10-TETRAACETIC ACID Viwit Pharmaceutical Co., Ltd. (CN) 2019-11-06 EP disclosed
US-20190209713-A1 CEST SYSTEMS EXHIBITING A CONCENTRATION INDEPENDENT RESPONSIVENESS BRACCO IMAGING S.P.A. (IT) 2019-07-11 US disclosed
US-20190209713-A1 CEST SYSTEMS EXHIBITING A CONCENTRATION INDEPENDENT RESPONSIVENESS BRACCO IMAGING S.P.A. (IT) 2019-07-11 US disclosed
US-10328162-B1 CEST systems exhibiting a concentration independent responsiveness BRACCO IMAGING S.P.A. (IT) 2019-06-25 US disclosed
US-10328162-B1 CEST systems exhibiting a concentration independent responsiveness BRACCO IMAGING S.P.A. (IT) 2019-06-25 US disclosed
US-10232060-B2 CEST systems exhibiting a concentration independent responsiveness BRACCO IMAGING S.P.A. (IT) 2019-03-19 US disclosed
US-10232060-B2 CEST systems exhibiting a concentration independent responsiveness BRACCO IMAGING S.P.A. (IT) 2019-03-19 US disclosed
EP-2635311-B1 CEST SYSTEMS EXHIBITING A CONCENTRATION INDEPENDENT RESPONSIVENESS BRACCO IMAGING SPA (IT) 2017-08-16 EP disclosed
WO-2017098044-A1 DIMERIC CONTRAST AGENTS BRACCO IMAGING SPA (IT) 2017-06-15 WO disclosed
EP-2635311-A1 CEST SYSTEMS EXHIBITING A CONCENTRATION INDEPENDENT RESPONSIVENESS Bracco Imaging S.p.A (IT) 2013-09-11 EP disclosed
US-20130195768-A1 CEST SYSTEMS EXHIBITING A CONCENTRATION INDEPENDENT RESPONSIVENESS BRACCO IMAGING S.P.A. (IT) 2013-08-01 US disclosed
US-20130195768-A1 CEST SYSTEMS EXHIBITING A CONCENTRATION INDEPENDENT RESPONSIVENESS BRACCO IMAGING S.P.A. (IT) 2013-08-01 US disclosed
WO-2012059576-A1 CEST SYSTEMS EXHIBITING A CONCENTRATION INDEPENDENT RESPONSIVENESS BRACCO IMAGING SPA (IT) 2012-05-10 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 (6 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-20190209713-A1 CEST SYSTEMS EXHIBITING A CONCENTRATION INDEPENDENT RESPONSIVENESS NCS1, CERS2, LSS ALDH1A1 4721/4885HSD17B10 3140/4885KDM4E 3440/4885
US-10232060-B2 CEST systems exhibiting a concentration independent responsiveness NCS1, CES1, BRS3 ALDH1A1 4722/4885HSD17B10 2905/4885KDM4E 4355/4885
US-10793533-B2 Dimeric contrast agents CALCOCO2, SLC39A14, NOD2 ALDH1A1 4705/4885HSD17B10 4707/4885KDM4E 4112/4885
US-20130195768-A1 CEST SYSTEMS EXHIBITING A CONCENTRATION INDEPENDENT RESPONSIVENESS NCS1, CERS2, LSS ALDH1A1 4721/4885HSD17B10 3140/4885KDM4E 3440/4885
US-20200017453-A1 DIMERIC CONTRAST AGENTS CALCOCO2, SLC39A14, NOD2 ALDH1A1 4705/4885HSD17B10 4707/4885KDM4E 4112/4885
US-10328162-B1 CEST systems exhibiting a concentration independent responsiveness NCS1, CERS2, LSS ALDH1A1 4721/4885HSD17B10 3140/4885KDM4E 3440/4885

“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.