SCHEMBL16656607

SCHEMBL16656607

CC(C)(C)ONCCCNC(=O)Cc1cc(=O)oc2cc(O)ccc12

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
GAA P10253 3/20 0.57
KDM4E B2RXH2 3/20 0.57
GLA P06280 2/20 0.57
LCK P06239 2/20 0.53
FYN P06241 1/20 0.53
AKR1B1 P15121 1/20 0.53
GRB2 P62993 1/20 0.53
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ACHE P22303 5/20 0.52
BCHE P06276 5/20 0.52
HSD17B3 P37058 4/20 0.50
ERAP1 Q9NZ08 1/20 0.48
HPGD P15428 1/20 0.46

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
SCHEMBL4211518 0.94 ALDH1A1 (0.60) ALDH1A1GAAKDM4EGLALCK
SCHEMBL715791 0.88 ALDH1A1 (0.57) ALDH1A1GAAKDM4EGLALCK
SCHEMBL716590 0.86 ALDH1A1 (0.57) ALDH1A1GAAKDM4EGLALCK
SCHEMBL726886 0.85 ALDH1A1 (0.56) ALDH1A1GAAKDM4EGLALCK
SCHEMBL4211454 0.83 ALDH1A1 (0.60) ALDH1A1GAAKDM4EGLALCK
SCHEMBL24062584 0.82 ALDH1A1 (0.60) ALDH1A1GAAKDM4EGLALCK
SCHEMBL2760317 0.82 LCK (0.61) ALDH1A1GAAKDM4EGLALCK
SCHEMBL532562 0.81 BCHE (0.60) ALDH1A1GAAKDM4EGLALCK
SCHEMBL724773 0.81 LCK (0.63) ALDH1A1GAAKDM4EGLALCK
SCHEMBL10035655 0.81 LCK (0.60) ALDH1A1GAAKDM4EGLALCK

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-20150353985-A1 METHODS FOR ASSAYING ALPHA-L-IDURONIDASE ENZYMATIC ACTIVITY UNIVERSITY OF WASHINGTON (US) 2015-12-10 US disclosed
US-9012663-B2 Methods for assaying α-L-iduronidase enzymatic activity UNIVERSITY OF WASHINGTON (US) 2015-04-21 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-20150353985-A1 METHODS FOR ASSAYING ALPHA-L-IDURONIDASE ENZYMATIC ACTIVITY IDUA, GAA, ENGASE ALDH1A1 367/4885GAA 2/4885KDM4E 4238/4885

“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.