SCHEMBL2029698

SCHEMBL2029698

O=Cc1ccc(OCC[C@H](O)CO)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
IDO1 P14902 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
ALOX12 P18054 1/20 0.36
NTSR1 P30989 1/20 0.36
CCR6 P51684 1/20 0.36
MCL1 Q07820 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CNR2 P34972 3/20 0.36
CNR1 P21554 2/20 0.36

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
SCHEMBL1133675 1.00 ALDH1A1 (0.42) ALDH1A1HPGDHTTSMN1; SMN2CYP1A2
SCHEMBL30434850 0.82 IDO1 (0.60) ALDH1A1HPGDHTTSMN1; SMN2KDM4E
SCHEMBL149947 0.82 IDO1 (0.60) ALDH1A1HPGDHTTSMN1; SMN2KDM4E
SCHEMBL5661861 0.81 ALDH1A1 (0.46) ALDH1A1HPGDHTTSMN1; SMN2CYP1A2
SCHEMBL12580912 0.81 ALDH1A1 (0.41) ALDH1A1HPGDHTTSMN1; SMN2KDM4E
SCHEMBL9570558 0.79 ALDH1A1 (0.53) ALDH1A1HPGDHTTSMN1; SMN2MEN1
SCHEMBL8050760 0.77 IDO1 (0.50) ALDH1A1HPGDHTTSMN1; SMN2KDM4E
SCHEMBL2651404 0.76 ALDH1A1 (0.50) ALDH1A1HPGDHTTSMN1; SMN2MEN1
SCHEMBL10457902 0.76 ALDH1A1 (0.50) ALDH1A1HPGDHTTSMN1; SMN2MEN1
SCHEMBL2650270 0.76 ALDH1A1 (0.50) ALDH1A1HPGDHTTSMN1; SMN2KDM4E

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
US-20110130557-A1 INTERCALATING TRIPLEXES AND DUPLEXES USING ARYL NAPHTHOIMIDAZOL AND PROCESS FOR THE PREPARATION THEREOF SYDDANSK UNIVERSITET (DK) 2011-06-02 US disclosed
US-20110130557-A1 INTERCALATING TRIPLEXES AND DUPLEXES USING ARYL NAPHTHOIMIDAZOL AND PROCESS FOR THE PREPARATION THEREOF SYDDANSK UNIVERSITET (DK) 2011-06-02 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-20110130557-A1 INTERCALATING TRIPLEXES AND DUPLEXES USING ARYL NAPHTHOIMIDAZOL AND PROCESS FOR THE PREPARATION THEREOF POLRMT, DDX1, DDX18 ALDH1A1 1439/4885HPGD 3801/4885HTT 933/4885

“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.