SCHEMBL13893263

SCHEMBL13893263

O=C(CN1CCNCCNCCNCC1)N1CCOCCOCCOCCOCC1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.65
ALOX15 P16050 1/20 0.65
TSHR P16473 1/20 0.65
KDM4E B2RXH2 5/20 0.50
LMNA P02545 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 2/20 0.48
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.44
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL255444 0.96 HSD17B10 (0.69) HSD17B10ALOX15TSHRKDM4ELMNA
SCHEMBL2073211 0.96 HSD17B10 (0.69) HSD17B10ALOX15TSHRKDM4ELMNA
Hydrochloric Acid SCHEMBL1156139 0.95 HSD17B10 (0.67) HSD17B10ALOX15TSHRKDM4ELMNA
SCHEMBL2009889 0.90 HSD17B10 (0.61) HSD17B10ALOX15TSHRKDM4ELMNA
SCHEMBL4817626 0.89 HSD17B10 (0.75) HSD17B10ALOX15TSHRKDM4ELMNA
Hydrochloric Acid SCHEMBL2008380 0.89 HSD17B10 (0.59) HSD17B10ALOX15TSHRKDM4ELMNA
SCHEMBL361321 0.83 GAA (0.56) HSD17B10ALOX15TSHRALDH1A1GAA
SCHEMBL26981196 0.83 HSD17B10 (0.91) HSD17B10ALOX15TSHRKDM4ELMNA
SCHEMBL23507546 0.80 HSD17B10 (0.77) HSD17B10ALOX15TSHRKDM4ELMNA
SCHEMBL209616 0.80 GAA (0.63) HSD17B10ALOX15TSHRKDM4EALDH1A1

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-20090104124-A1 Paramagnetic Complexes with Pendant Crown Compounds Showing Improved Targeting- Specificity as MRI Contrast Agents UNIVERSITY HONG KONG, THE (CN) 2009-04-23 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-20090104124-A1 Paramagnetic Complexes with Pendant Crown Compounds Showing Improved Targeting- Specificity as MRI Contrast Agents ABCB11, ATP6V1B1, SLC5A7 HSD17B10 3784/4885ALOX15 2964/4885TSHR 2067/4885

“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.