SCHEMBL4446703

SCHEMBL4446703

COc1ccc(Sc2ccccc2CO)c(CO)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.56
SLC6A2 P23975 8/20 0.56
SLC6A3 Q01959 5/20 0.56
APOBEC3G Q9HC16 1/20 0.47
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
MMP2 P08253 3/20 0.45
MMP9 P14780 3/20 0.45
MMP12 P39900 3/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MMP14 P50281 1/20 0.42

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
SCHEMBL6937175 0.84 HTR1A (0.52) SLC6A4SLC6A2SLC6A3APOBEC3GMEN1
SCHEMBL4437976 0.83 SLC6A2 (0.47) SLC6A4SLC6A2SLC6A3KDM4EALDH1A1
SCHEMBL4808474 0.82 MEN1 (0.66) SLC6A4SLC6A2SLC6A3APOBEC3GMEN1
SCHEMBL7108674 0.81 IDO1 (0.52) SLC6A4SLC6A2SLC6A3APOBEC3GMEN1
SCHEMBL14089409 0.81 SLC6A2 (0.56) SLC6A4SLC6A2SLC6A3MEN1POLB
SCHEMBL16956443 0.80 ALDH1A1 (0.47) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL10908428 0.79 GAA (0.45) SLC6A4SLC6A2SLC6A3APOBEC3GMEN1
SCHEMBL4448225 0.79 SLC6A2 (0.43) SLC6A4SLC6A2SLC6A3KDM4EALDH1A1
SCHEMBL4442278 0.78 APOBEC3G (0.73) SLC6A4SLC6A2SLC6A3APOBEC3GALDH1A1
SCHEMBL11881025 0.78 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3MEN1POLB

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
EP-2061754-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-05-27 EP disclosed
WO-2008115999-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 WO disclosed
US-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 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-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS FECH, SLC10A1, SLC40A1 SLC6A4 724/4885SLC6A2 247/4885SLC6A3 233/4885

“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.