SCHEMBL4732941

SCHEMBL4732941

NCC(=CC1CCCCC1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.62
GRIK2 Q13002 1/20 0.59
ALDH1A1 P00352 2/20 0.35
CYP2D6 P10635 1/20 0.34
PEPD P12955 1/20 0.33
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
ABAT P80404 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL4732092 0.84 GRIK1 (0.49) GRIK1GRIK2ALDH1A1CYP2D6
SCHEMBL6574705 0.82 GRIK1 (0.59) GRIK1GRIK2
SCHEMBL490770 0.82 GRIK1 (0.59) GRIK1GRIK2
SCHEMBL1088357 0.80 GRIK1 (0.57) GRIK1GRIK2ALDH1A1HTTSMN1; SMN2
SCHEMBL6743653 0.80 GRIK1 (0.57) GRIK1GRIK2
SCHEMBL165975 0.80 GRIK1 (0.57) GRIK1GRIK2ALDH1A1HTTSMN1; SMN2
SCHEMBL1651116 0.80 GRIK1 (0.57) GRIK1GRIK2ALDH1A1HTTSMN1; SMN2
SCHEMBL564180 0.80 GRIK1 (0.57) GRIK1GRIK2ABAT
SCHEMBL157326 0.80 GRIK1 (0.57) GRIK1GRIK2ALDH1A1HTTSMN1; SMN2
SCHEMBL3853225 0.78 GRIK1 (0.56) GRIK1GRIK2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3060591-A1 COPOLYMERS AND COMPOSITIONS WITH ANTI-ADHESIVE AND ANTIMICROBIAL PROPERTIES BASF SE (DE) 2016-08-31 EP disclosed
US-20160235062-A1 COPOLYMERS AND COMPOSITIONS WITH ANTI-ADHESIVE AND ANTIMICROBIAL PROPERTIES BASF SE (DE) 2016-08-18 US disclosed
WO-2015058964-A1 COPOLYMERS AND COMPOSITIONS WITH ANTI-ADHESIVE AND ANTIMICROBIAL PROPERTIES BASF SE (DE) 2015-04-30 WO disclosed
WO-2008053051-A2 PANTHENOL ESTERS OF UNSATURATED CARBOXYLIC ACIDS HAERING DIETMAR (DE) 2008-05-08 WO 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-20160235062-A1 COPOLYMERS AND COMPOSITIONS WITH ANTI-ADHESIVE AND ANTIMICROBIAL PROPERTIES MACF1, ITGA5, ILK GRIK1 3461/4885GRIK2 3580/4885ALDH1A1 2023/4885

“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.