SCHEMBL14728251

SCHEMBL14728251

COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCOCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN1C(=O)CC(SC)C1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
DRD2 P14416 1/20 0.39
CYP2C19 P33261 1/20 0.37
TSHR P16473 1/20 0.37
OPRL1 P41146 7/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
OPRK1 P41145 2/20 0.34
POLB P06746 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
OPRM1 P35372 6/20 0.32

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
SCHEMBL24686922 0.98 SMN1; SMN2 (0.47) SMN1; SMN2HPGDHTTDRD2CYP2C19
SCHEMBL14728245 0.92 HPGD (0.36) SMN1; SMN2HPGDHTTDRD2OPRK1
SCHEMBL14728243 0.92 HPGD (0.36) SMN1; SMN2HPGDHTTDRD2OPRK1
SCHEMBL13056339 0.91 SMN1; SMN2 (0.51) SMN1; SMN2HPGDHTTCYP2C19TSHR
SCHEMBL13056342 0.90 SMN1; SMN2 (0.37) SMN1; SMN2HPGDHTTDRD2CYP2C19
SCHEMBL17357524 0.90 SMN1; SMN2 (0.37) SMN1; SMN2HPGDHTTDRD2CYP2C19
SCHEMBL10148003 0.90 SMN1; SMN2 (0.44) SMN1; SMN2HPGDHTTCYP2C19TSHR
SCHEMBL13776353 0.89 SMN1; SMN2 (0.36) SMN1; SMN2HPGDHTTDRD2CYP2C19
SCHEMBL13056345 0.89 SMN1; SMN2 (0.37) SMN1; SMN2HPGDHTTDRD2CYP2C19
SCHEMBL18264887 0.89 SMN1; SMN2 (0.37) SMN1; SMN2HPGDHTTDRD2CYP2C19

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-20130052130-A1 Branched Discreet PEG Constructs UNIVERSITY OF WASHINGTON (US) 2013-02-28 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-20130052130-A1 Branched Discreet PEG Constructs BTD, DNPEP, IDUA SMN1; SMN2 3611/4885HPGD 734/4885HTT 3476/4885

“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.