SCHEMBL20767985

SCHEMBL20767985

CC(C)(C)OC(=O)NCc1cc(=O)oc2cc(O)ccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
GAA P10253 4/20 0.59
KDM4E B2RXH2 4/20 0.59
GLA P06280 4/20 0.59
HSD17B3 P37058 10/20 0.58
AKR1B1 P15121 2/20 0.54
LCK P06239 1/20 0.54
FYN P06241 1/20 0.54
GRB2 P62993 1/20 0.54
ERAP1 Q9NZ08 1/20 0.52
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
CA1 P00915 1/20 0.50
CASP1 P29466 2/20 0.48
CASP7 P55210 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAP1LC3B Q9GZQ8 1/20 0.47
MAP1LC3A Q9H492 1/20 0.47

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
SCHEMBL10001918 0.88 ALDH1A1 (0.60) ALDH1A1GAAKDM4EGLAHSD17B3
SCHEMBL4211454 0.88 ALDH1A1 (0.60) ALDH1A1GAAKDM4EGLAHSD17B3
SCHEMBL4206438 0.86 ALDH1A1 (0.63) ALDH1A1GAAKDM4EGLAHSD17B3
SCHEMBL715791 0.86 ALDH1A1 (0.57) ALDH1A1GAAKDM4EGLAHSD17B3
SCHEMBL716590 0.86 ALDH1A1 (0.57) ALDH1A1GAAKDM4EGLAHSD17B3
SCHEMBL20767986 0.85 KDM4E (0.56) ALDH1A1GAAKDM4EGLALCK
SCHEMBL726886 0.85 ALDH1A1 (0.56) ALDH1A1GAAKDM4EGLAHSD17B3
SCHEMBL20438117 0.83 LOXL2 (0.52) ALDH1A1KDM4EAKR1B1CA12CA9
SCHEMBL20780178 0.81 ALDH1A1 (0.57) ALDH1A1GAAKDM4EGLAHSD17B3
SCHEMBL16197761 0.81 AKR1B1 (0.68) ALDH1A1GAAKDM4EGLAHSD17B3

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-10221441-B1 Compounds and methods for assaying activity of lysosomal storage diseases Cabridge Isotope Laboratories, Inc. (US) 2019-03-05 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-10221441-B1 Compounds and methods for assaying activity of lysosomal storage diseases GBA1, MAN2B1, GBA2 ALDH1A1 2278/4885GAA 4/4885KDM4E 2411/4885

“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.