SCHEMBL437100

SCHEMBL437100

CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)ON2C(=O)CCC2=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ RECQL P46063 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PARP1 P09874 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
SCHEMBL12238070 1.00 LMNA (0.36) LMNAGAASMN1; SMN2KMT2ARECQL
SCHEMBL18118469 0.94 ALOX15 (0.37) LMNAGAASMN1; SMN2KMT2ARECQL
SCHEMBL12906770 0.94 ALOX15 (0.37) LMNAGAASMN1; SMN2KMT2ARECQL
SCHEMBL10475746 0.94 ALOX15 (0.37) LMNAGAASMN1; SMN2KMT2ARECQL
SCHEMBL560792 0.92 HSD17B10 (0.39) SMN1; SMN2KMT2AHSD17B10MEN1ALDH1A1
SCHEMBL15518427 0.92 HSD17B10 (0.39) SMN1; SMN2KMT2AHSD17B10MEN1ALDH1A1
SCHEMBL17053358 0.88 HSD17B10 (0.36) SMN1; SMN2KMT2AHSD17B10MEN1ALDH1A1
SCHEMBL17057486 0.88 HSD17B10 (0.36) SMN1; SMN2KMT2AHSD17B10MEN1ALDH1A1
SCHEMBL30069168 0.85 PLA2G10 (0.35) KMT2AHSD17B10MEN1ALDH1A1
SCHEMBL14522328 0.84 CHRM5 (0.35) HSD17B10TSHR

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-20120065384-A1 FLUORESCENT MRI PROBE THE UNIVERSITY OF TOKYO (JP) 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-20120065384-A1 FLUORESCENT MRI PROBE GLRA1, GLRA3, GDI1 LMNA 2272/4885GAA 1756/4885SMN1; SMN2 3135/4885

“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.

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