SCHEMBL13633395

SCHEMBL13633395

Cc1cc2oc(=O)cc(COC(=O)Cl)c2cc1C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.56
NPC1 O15118 6/20 0.56
KDM4E B2RXH2 6/20 0.56
HPGD P15428 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ESR1 P03372 1/20 0.56
RAB9A P51151 4/20 0.53
MEN1 O00255 5/20 0.48
POLB P06746 1/20 0.48
KCNA2 P16389 1/20 0.48
KCNA1 Q09470 1/20 0.48
HSD17B10 Q99714 2/20 0.46
HSD17B3 P37058 1/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 4/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL11416864 0.76 AKR1B1 (0.69) KMT2AKDM4EHPGDMEN1POLB
SCHEMBL13638424 0.73 ALDH1A1 (0.51) KMT2ANPC1KDM4EHPGDSMN1; SMN2
SCHEMBL19002490 0.72 ALDH1A1 (0.68) KMT2AKDM4EHPGDSMN1; SMN2MEN1
SCHEMBL19354132 0.72 KDM4E (0.51) KMT2AKDM4EHPGDMEN1POLB
SCHEMBL12894164 0.71 MCL1 (0.51) KMT2ANPC1KDM4EHPGDSMN1; SMN2
SCHEMBL7459816 0.71 MCL1 (0.56) KMT2ANPC1KDM4EHPGDSMN1; SMN2
SCHEMBL24160929 0.71 KDM4E (0.54) KMT2AKDM4EHPGDMEN1POLB
SCHEMBL18997404 0.71 KDM4E (0.54) KMT2AKDM4EHPGDSMN1; SMN2MEN1
SCHEMBL12894187 0.70 MCL1 (0.50) KMT2ANPC1KDM4EHPGDSMN1; SMN2
SCHEMBL12993677 0.70 KDM4E (0.49) KMT2AKDM4EHPGDSMN1; SMN2RAB9A

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 KMT2A 2960/4885NPC1 388/4885KDM4E 2999/4885

“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.