SCHEMBL17119745

SCHEMBL17119745

CC(C)(C)OC(=O)CCN1CCN(CC(=O)O)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.36
PLA2G10 O15496 2/20 0.36
PLA2G5 P39877 2/20 0.36
CACNA1H O95180 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
GLA P06280 1/20 0.34
TP53 P04637 1/20 0.34
SIGMAR1 Q99720 3/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
TSHR P16473 1/20 0.33
WNT1 P04628 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 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
SCHEMBL20678139 1.00 HSD17B10 (0.36) HSD17B10PLA2G10PLA2G5CACNA1HSMN1; SMN2
Bromide SCHEMBL5126215 0.97 PLA2G10 (0.34) HSD17B10PLA2G10PLA2G5CACNA1HSMN1; SMN2
SCHEMBL5665370 0.97 HSD17B10 (0.38) HSD17B10CACNA1HSMN1; SMN2GLATP53
SCHEMBL15938241 0.90 GLA (0.43) PLA2G10PLA2G5CACNA1HSMN1; SMN2GLA
SCHEMBL20678135 0.90 GLA (0.43) PLA2G10PLA2G5CACNA1HSMN1; SMN2GLA
SCHEMBL10063507 0.90 HSD17B10 (0.42) HSD17B10PLA2G10PLA2G5CACNA1HSMN1; SMN2
SCHEMBL1041478 0.90 HSD17B10 (0.42) HSD17B10PLA2G10PLA2G5CACNA1HSMN1; SMN2
SCHEMBL16749946 0.90 HSD17B10 (0.42) HSD17B10PLA2G10PLA2G5CACNA1HSMN1; SMN2
SCHEMBL20260416 0.90 HSD17B10 (0.42) HSD17B10PLA2G10PLA2G5CACNA1HSMN1; SMN2
SCHEMBL12004645 0.90 HSD17B10 (0.42) HSD17B10PLA2G10PLA2G5CACNA1HSMN1; SMN2

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-20190142977-A1 GADOLINIUM-BASED CONTRAST AGENTS FOR SENSITIVE DETECTION OF Zn2+ WITH MRI THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-05-16 US disclosed
US-20170106103-A1 NEW GADOLINIUM-BASED CONTRAST AGENTS FOR SENSITIVE DETECTION OF Zn2+ WITH MRI THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-04-20 US disclosed
US-20170106103-A1 NEW GADOLINIUM-BASED CONTRAST AGENTS FOR SENSITIVE DETECTION OF Zn2+ WITH MRI THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-04-20 US disclosed
WO-2015142583-A1 NEW GADOLINIUM-BASED CONTRAST AGENTS FOR SENSITIVE DETECTION OF ZN2+ WITH MRI THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-09-24 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 (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-20190142977-A1 GADOLINIUM-BASED CONTRAST AGENTS FOR SENSITIVE DETECTION OF Zn2+ WITH MRI SLC30A6, SLC30A7, SLC39A11 HSD17B10 4645/4885PLA2G10 1577/4885PLA2G5 1648/4885
US-20170106103-A1 NEW GADOLINIUM-BASED CONTRAST AGENTS FOR SENSITIVE DETECTION OF Zn2+ WITH MRI SLC30A6, SLC30A7, SLC39A11 HSD17B10 4668/4885PLA2G10 1075/4885PLA2G5 1125/4885

“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.