SCHEMBL4407771

SCHEMBL4407771

O[C@@H](CN(Cc1ccccc1)C[C@H](O)c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 5/20 0.53
KDM4E B2RXH2 4/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 1/20 0.47
TAAR1 Q96RJ0 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CNR2 P34972 1/20 0.43
RET P07949 1/20 0.43
KDR P35968 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL6819563 1.00 AOC3 (0.53) AOC3KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL4406801 0.91 TAAR1 (0.49) AOC3KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL4406794 0.91 TAAR1 (0.49) AOC3KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL11650819 0.88 AOC3 (0.53) AOC3KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL13699528 0.88 ALDH1A1 (0.52) AOC3KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8557986 0.88 ALDH1A1 (0.52) AOC3KDM4EMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL11658826 0.87 AOC3 (0.51) AOC3KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL11658798 0.86 AOC3 (0.49) AOC3KDM4EMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL3273754 0.86 ALDH1A1 (0.54) AOC3KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL9729386 0.85 AOC3 (0.63) AOC3KDM4EMEN1KMT2ASMN1; SMN2

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-7635776-B2 Ligands and complex compounds containing the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-12-22 US disclosed
US-20060111572-A1 Ligands and complex compounds containing the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-05-25 US disclosed
EP-1591439-A1 LIGANDS AND COMPLEX COMPOUNDS CONTAINING THE SAME Takasago International Corporation (JP) 2005-11-02 EP 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-20060111572-A1 Ligands and complex compounds containing the same NR0B2, NR4A1, NR0B1 AOC3 1000/4885KDM4E 2545/4885MEN1 823/4885

“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.