SCHEMBL15831767

SCHEMBL15831767

CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CP(=O)(O)O)CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 2/20 0.37
SIGMAR1 Q99720 2/20 0.36
PAOX Q6QHF9 1/20 0.36
ALOX15 P16050 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL12605189 1.00 HSD17B10 (0.40) HSD17B10ALDH1A1TSHRMAPTKMT2A
SCHEMBL7039511 0.91 HSD17B10 (0.47) HSD17B10ALDH1A1TSHRMAPTKMT2A
SCHEMBL27329590 0.91 HSD17B10 (0.47) HSD17B10ALDH1A1TSHRMAPTKMT2A
SCHEMBL3974583 0.91 HSD17B10 (0.47) HSD17B10ALDH1A1TSHRMAPTKMT2A
SCHEMBL5059158 0.91 HSD17B10 (0.47) HSD17B10ALDH1A1TSHRMAPTKMT2A
SCHEMBL6424182 0.91 HSD17B10 (0.47) HSD17B10ALDH1A1TSHRMAPTKMT2A
SCHEMBL18537917 0.86 HSD17B10 (0.40) HSD17B10ALDH1A1TSHRMAPTKMT2A
SCHEMBL18537914 0.86 HSD17B10 (0.40) HSD17B10ALDH1A1TSHRMAPTKMT2A
SCHEMBL22821626 0.86 HSD17B10 (0.40) HSD17B10ALDH1A1TSHRMAPTKMT2A
SCHEMBL18537936 0.86 HSD17B10 (0.40) HSD17B10ALDH1A1TSHRMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140178302-A1 INTEGRIN TARGETED SYNTHETIC LIGANDS FOR DIAGNOSTIC AND THERAPEUTIC APPLICATIONS BRACCO IMAGING S.P.A. (IT) 2014-06-26 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-20140178302-A1 INTEGRIN TARGETED SYNTHETIC LIGANDS FOR DIAGNOSTIC AND THERAPEUTIC APPLICATIONS ITGA2B, ITGB2, ITGB1 HSD17B10 4649/4885ALDH1A1 3450/4885TSHR 554/4885

“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.