SCHEMBL4408535

SCHEMBL4408535

O[C@@H](CNC[C@H](O)c1ccccc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 1.00
L3MBTL1 Q9Y468 1/20 1.00
AOC3 Q16853 3/20 0.68
LMNA P02545 3/20 0.61
ALDH1A1 P00352 2/20 0.61
KMT2A Q03164 1/20 0.59
BCAT2 O15382 1/20 0.59
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ADRB2 P07550 1/20 0.56
PLA2G1B P04054 1/20 0.54
POLB P06746 1/20 0.54
ATG4B Q9Y4P1 1/20 0.54

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
SCHEMBL7532494 1.00 KDM4E (1.00) KDM4EL3MBTL1AOC3LMNAALDH1A1
SCHEMBL12186411 0.89 KDM4E (0.80) KDM4EL3MBTL1AOC3LMNAALDH1A1
SCHEMBL7114926 0.89 KDM4E (0.80) KDM4EL3MBTL1AOC3LMNAALDH1A1
Acetic Acid SCHEMBL8948216 0.89 KDM4E (0.80) KDM4EL3MBTL1AOC3LMNAALDH1A1
SCHEMBL7288245 0.89 KDM4E (0.79) KDM4EL3MBTL1AOC3LMNAALDH1A1
SCHEMBL8976776 0.88 KDM4E (0.77) KDM4EL3MBTL1AOC3LMNAALDH1A1
SCHEMBL9061582 0.88 KDM4E (0.77) KDM4EL3MBTL1AOC3LMNAALDH1A1
SCHEMBL2011932 0.87 KDM4E (0.76) KDM4EL3MBTL1AOC3LMNAALDH1A1
SCHEMBL1738957 0.87 KDM4E (0.76) KDM4EL3MBTL1AOC3LMNAALDH1A1
SCHEMBL2016180 0.87 KDM4E (0.76) KDM4EL3MBTL1AOC3LMNAALDH1A1

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 KDM4E 2545/4885L3MBTL1 3985/4885AOC3 1000/4885

“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.