SCHEMBL10035655

SCHEMBL10035655

NCCCCNC(=O)Cc1cc(=O)oc2cc(O)ccc12

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.60
FYN P06241 1/20 0.60
AKR1B1 P15121 1/20 0.60
GRB2 P62993 1/20 0.60
ALDH1A1 P00352 3/20 0.58
GAA P10253 3/20 0.58
KDM4E B2RXH2 2/20 0.58
GLA P06280 2/20 0.58
CASP1 P29466 1/20 0.58
CASP7 P55210 1/20 0.58
HSD17B10 Q99714 1/20 0.58
BCHE P06276 5/20 0.58
ACHE P22303 5/20 0.58
HSD17B3 P37058 6/20 0.53
ERAP1 Q9NZ08 1/20 0.51

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
SCHEMBL2760317 0.96 LCK (0.61) LCKFYNAKR1B1GRB2ALDH1A1
SCHEMBL10035521 0.92 LCK (0.64) LCKFYNAKR1B1GRB2ALDH1A1
SCHEMBL723311 0.88 LCK (0.63) LCKFYNAKR1B1GRB2ALDH1A1
SCHEMBL532562 0.88 BCHE (0.60) LCKFYNAKR1B1GRB2ALDH1A1
SCHEMBL724773 0.88 LCK (0.63) LCKFYNAKR1B1GRB2ALDH1A1
SCHEMBL725498 0.86 BCHE (0.58) LCKFYNAKR1B1GRB2ALDH1A1
SCHEMBL8097195 0.85 LCK (0.65) LCKFYNAKR1B1GRB2ALDH1A1
SCHEMBL16745455 0.84 BCHE (0.45) LCKFYNAKR1B1GRB2ALDH1A1
SCHEMBL24062584 0.83 ALDH1A1 (0.60) LCKFYNAKR1B1GRB2ALDH1A1
SCHEMBL716590 0.83 ALDH1A1 (0.57) LCKFYNAKR1B1GRB2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2191006-B1 METHODS FOR ASSAYING ALPHA-L-IDURONIDASE ENZYMATIC ACTIVITY UNIV WASHINGTON (US) 2012-11-21 EP disclosed
US-20120052519-A1 METHODS FOR ASSAYING ALPHA-L-IDURONIDASE ENZYMATIC ACTIVITY UNIVERSITY OF WASHINGTON (US) 2012-03-01 US disclosed
US-20100209951-A1 METHODS FOR ASSAYING ALPHA-L-IDURONIDASE ENZYMATIC ACTIVITY UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2010-08-19 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 (2 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-20120052519-A1 METHODS FOR ASSAYING ALPHA-L-IDURONIDASE ENZYMATIC ACTIVITY IDUA, GAA, ENGASE LCK 4717/4885FYN 4354/4885AKR1B1 1920/4885
US-20100209951-A1 METHODS FOR ASSAYING ALPHA-L-IDURONIDASE ENZYMATIC ACTIVITY IDUA, GAA, ENGASE LCK 4717/4885FYN 4354/4885AKR1B1 1920/4885

“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.