SCHEMBL462559

SCHEMBL462559

CCc1ccc2c(c1)OCCOCCOc1ccccc1OCCOCCO2

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
CRHBP P24387 2/20 0.59
CRHR2 Q13324 2/20 0.59
HTT P42858 2/20 0.59
KDM4E B2RXH2 3/20 0.54
CYP2D6 P10635 1/20 0.50
MAPT P10636 4/20 0.49
GAA P10253 2/20 0.49
BLM P54132 1/20 0.49
ITGB2 P05107 1/20 0.48
ICAM1 P05362 1/20 0.48
ITGAL P20701 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44

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
SCHEMBL14501838 0.95 MAPT (0.53) LMNASMN1; SMN2CRHBPCRHR2HTT
SCHEMBL15982278 0.95 MAPT (0.53) LMNASMN1; SMN2CRHBPCRHR2HTT
SCHEMBL15981301 0.95 MAPT (0.53) LMNASMN1; SMN2CRHBPCRHR2HTT
SCHEMBL92786 0.89 MEN1 (0.53) LMNASMN1; SMN2HTTCYP2D6MAPT
SCHEMBL25018796 0.83 SMN1; SMN2 (0.59) LMNASMN1; SMN2CRHBPCRHR2HTT
SCHEMBL25821224 0.82 SMN1; SMN2 (0.53) LMNASMN1; SMN2CRHBPCRHR2HTT
SCHEMBL19441506 0.82 LMNA (0.53) LMNASMN1; SMN2CRHBPCRHR2HTT
SCHEMBL12826601 0.82 MEN1 (0.47) LMNASMN1; SMN2CYP2D6MAPTGAA
SCHEMBL8918332 0.82 NPC1 (0.47) LMNASMN1; SMN2CYP2D6MAPTGAA
SCHEMBL20225724 0.81 CD274 (0.54) LMNASMN1; SMN2HTTCYP2D6MAPT

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-20120289457-A1 PEPTIDE OLIGONUCLEOTIDE CONJUGATES AVI BIOPHARMA, INC. (US) 2012-11-15 US disclosed
US-20120065169-A1 OLIGONUCLEOTIDE ANALOGUES HAVING MODIFIED INTERSUBUNIT LINKAGES AND/OR TERMINAL GROUPS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2012-03-15 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-20120065169-A1 OLIGONUCLEOTIDE ANALOGUES HAVING MODIFIED INTERSUBUNIT LINKAGES AND/OR TERMINAL GROUPS NSUN2, UPF1, RTCB LMNA 2297/4885SMN1; SMN2 146/4885CRHBP 826/4885
US-20120289457-A1 PEPTIDE OLIGONUCLEOTIDE CONJUGATES SNRPE, SMN1; SMN2, UPF1 LMNA 2744/4885SMN1; SMN2 2/4885CRHBP 351/4885

“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.