SCHEMBL13638427

SCHEMBL13638427

CCCCOC(=O)COc1ccc2c(COC(=O)Cl)cc(=O)oc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.60
KDM4E B2RXH2 8/20 0.60
MAPT P10636 4/20 0.60
HPGD P15428 8/20 0.57
PKM P14618 4/20 0.57
HSD17B10 Q99714 4/20 0.57
LMNA P02545 1/20 0.57
TSHR P16473 1/20 0.57
KMT2A Q03164 9/20 0.57
NPSR1 Q6W5P4 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
MEN1 O00255 3/20 0.53
POLB P06746 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.49

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
SCHEMBL13638424 0.87 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTHPGDPKM
SCHEMBL21629528 0.78 ALDH1A1 (0.81) ALDH1A1KDM4EMAPTHPGDLMNA
SCHEMBL17403186 0.77 KDM4E (0.76) ALDH1A1KDM4EMAPTHPGDPKM
SCHEMBL17269967 0.74 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTHPGDPKM
SCHEMBL14394953 0.74 ALDH1A1 (0.71) ALDH1A1KDM4EMAPTHPGDPKM
SCHEMBL14027239 0.74 KDM4E (0.63) ALDH1A1KDM4EMAPTHPGDPKM
SCHEMBL18661752 0.73 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTHPGDPKM
SCHEMBL14028419 0.73 ALDH1A1 (0.62) ALDH1A1KDM4EMAPTHPGDPKM
SCHEMBL20364004 0.73 ALDH1A1 (0.77) ALDH1A1KDM4EMAPTHPGDPKM
SCHEMBL21629627 0.73 ALDH1A1 (0.83) ALDH1A1KDM4EMAPTHPGDLMNA

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 2999/4885MAPT 352/4885

“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.