Sugi Predict

Sugi Predict / Compounds / SCHEMBL13638424

SCHEMBL13638424

SCHEMBL13638424

CCCCOC(=O)COc1cc2oc(=O)cc(COC(=O)Cl)c2cc1OCC(=O)OCCCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 16/20 0.51
▸ KDM4E B2RXH2 15/20 0.51
▸ HPGD P15428 14/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ HSD17B10 Q99714 9/20 0.48
▸ GAA P10253 1/20 0.48
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ TDP1 Q9NUW8 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ NPC1 O15118 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ TSHR P16473 2/20 0.41
▸ MEN1 O00255 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
SCHEMBL13638427 0.87 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDMAPK1HSD17B10
SCHEMBL13633395 0.73 KMT2A (0.56) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL4611432 0.71 KDM4E (0.58) ALDH1A1KDM4EHPGDMAPK1HSD17B10
SCHEMBL4611428 0.69 KDM4E (0.52) ALDH1A1KDM4EHPGDMAPK1HSD17B10
SCHEMBL5431529 0.68 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDMAPK1HSD17B10
SCHEMBL12993677 0.67 KDM4E (0.49) ALDH1A1KDM4EHPGDMAPK1HSD17B10
SCHEMBL21629528 0.67 ALDH1A1 (0.81) ALDH1A1KDM4EHPGDGAAHTT
SCHEMBL12920147 0.66 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDMAPK1HSD17B10
SCHEMBL4159382 0.65 ALDH1A1 (0.72) ALDH1A1KDM4EHPGDMAPK1HSD17B10
SCHEMBL29827665 0.65 ALDH1A1 (0.72) ALDH1A1KDM4EHPGDMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622499-B2 β-Benzyloxyaspartate derivatives with photosensitive groups SUNTORY HOLDINGS LIMITED (JP) 2009-11-24 — — US disclosed
US-20070158175-A1 (2S,3S)-3-Benzyloxy-N-[7-(carboxymethoxy) coumarin-4-ylmethoxy]carbonylaspartate; upon photoirradiation can produce compounds exhibiting a function of suppressing the glutamate uptake activity of L-glutamate transporters; use in treatment of neurological disorders and neurodegenerative conditions SUNTORY HOLDINGS LIMITED (JP) 2007-07-12 — — 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-20070158175-A1 (2S,3S)-3-Benzyloxy-N-[7-(carboxymethoxy) coumarin-4-ylmethoxy]carbonylaspartate; upon photoirradiation can produce compounds exhibiting a function of suppressing the glutamate uptake activity of L-glutamate transporters; use in treatment of neurological disorders and neurodegenerative conditions SLC1A1, SLC1A2, SLC1A3 ALDH1A1 263/4885KDM4E 2999/4885HPGD 1353/4885

“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.