SCHEMBL1133796

SCHEMBL1133796

CC1(C)OC[C@H](CCOc2ccc(C=O)c3ccccc23)O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.36
ADRA1D P25100 7/20 0.36
ADRA1A P35348 7/20 0.36
ADRA1B P35368 7/20 0.36
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
TMEM97 Q5BJF2 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 1/20 0.34
ALOX12 P18054 1/20 0.34
NTSR1 P30989 1/20 0.34
CCR6 P51684 1/20 0.34
MCL1 Q07820 1/20 0.34
MAPK14 Q16539 2/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL1133799 1.00 HTR1A (0.36) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL1133830 0.87 ALDH1A1 (0.50) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL15077477 0.80 ALDH1A1 (0.38) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL5307075 0.76 ALDH1A1 (0.47) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL4790647 0.76 ALDH1A1 (0.47) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL5307972 0.76 ALDH1A1 (0.47) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL15077475 0.75 MAPK14 (0.35) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL7964858 0.73 ADRA1B (0.49) HTR1AADRA1DADRA1AADRA1BTMEM97
SCHEMBL1133834 0.73 ALDH1A1 (0.43) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL1133835 0.73 ALDH1A1 (0.43) HTR1AADRA1DADRA1AADRA1BALDH1A1

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
US-20110130557-A1 INTERCALATING TRIPLEXES AND DUPLEXES USING ARYL NAPHTHOIMIDAZOL AND PROCESS FOR THE PREPARATION THEREOF SYDDANSK UNIVERSITET (DK) 2011-06-02 US disclosed
EP-2285820-A1 INTERCALATING TRIPLEXES AND DUPLEXES USING ARYL NAPHTHOIMIDAZOL AND PROCESS FOR THE PREPARATION THEREOF Syddansk Universitet (DK) 2011-02-23 EP disclosed
WO-2009135890-A1 INTERCALATING TRIPLEXES AND DUPLEXES USING ARYL NAPHTHOIMIDAZOL AND PROCESS FOR THE PREPARATION THEREOF SYDDANSK UNIVERSITET (DK) 2009-11-12 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-20110130557-A1 INTERCALATING TRIPLEXES AND DUPLEXES USING ARYL NAPHTHOIMIDAZOL AND PROCESS FOR THE PREPARATION THEREOF POLRMT, DDX1, DDX18 HTR1A 3966/4885ADRA1D 2026/4885ADRA1A 1760/4885

“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.