SCHEMBL408919

SCHEMBL408919

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

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.44
HSD17B10 Q99714 1/20 0.41
S1PR1 P21453 1/20 0.36
TACR1 P25103 3/20 0.36
ALB P02768 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
DRD3 P35462 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL12156561 1.00 SLC6A9 (0.44) SLC6A9HSD17B10S1PR1TACR1ALB
SCHEMBL12156548 1.00 SLC6A9 (0.44) SLC6A9HSD17B10S1PR1TACR1ALB
SCHEMBL7593926 1.00 SLC6A9 (0.44) SLC6A9HSD17B10S1PR1TACR1ALB
Hydrochloric Acid SCHEMBL29697028 0.98 SLC6A9 (0.43) SLC6A9HSD17B10S1PR1TACR1ALB
SCHEMBL6625088 0.92 SLC6A9 (0.39) SLC6A9HSD17B10S1PR1TACR1ALB
SCHEMBL24354419 0.91 SLC6A9 (0.38) SLC6A9HSD17B10S1PR1TACR1ALB
SCHEMBL24354423 0.89 ALDH1A1 (0.38) SLC6A9HSD17B10S1PR1TACR1ALB
SCHEMBL6628233 0.87 SLC6A9 (0.36) SLC6A9HSD17B10S1PR1TACR1ALB
SCHEMBL3102765 0.86
SCHEMBL24274311 0.86 SLC6A3 (0.42) SLC6A9HSD17B10S1PR1ALBSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018102890-A1 VISUALIZATION CONSTRUCTS THE UNIVERSITY OF QUEENSLAND (AU) 2018-06-14 WO disclosed
US-8986650-B2 Complex folate-NOTA-Ga68 GUERBET (FR) 2015-03-24 US disclosed
US-20120064003-A1 COMPLEX FOLATE-NOTA-Ga68 GUERBET (FR) 2012-03-15 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 (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-20120064003-A1 COMPLEX FOLATE-NOTA-Ga68 FOLR1, FOLR2, DHFR SLC6A9 3203/4885HSD17B10 1388/4885S1PR1 1065/4885

“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.