SCHEMBL6479566

SCHEMBL6479566

O=C1C[C@@H]([C@@H](COCc2ccccc2)OCc2ccccc2)CN1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 3/20 0.42
MAOB P27338 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
CA1 P00915 4/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
SLC5A1 P13866 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
TACR1 P25103 2/20 0.35

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
SCHEMBL6479724 0.83 PDE4A (0.38) SLC6A2SLC6A4SLC6A3MAOBPDE4A
SCHEMBL6490796 0.73 HPGD (0.48) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL16699631 0.72 LMNA (0.55) LMNAMAOBPDE4APDE4BPDE4C
SCHEMBL13841803 0.70 TSHR (0.44) SLC6A2SLC6A4SLC6A3CA1CA2
SCHEMBL1672146 0.70 LMNA (0.46) LMNAMAOBPDE4APDE4BPDE4C
SCHEMBL6648579 0.69 CYP24A1 (0.39) MAOBPDE4APDE4BPDE4CPDE4D
SCHEMBL6644715 0.69 CYP24A1 (0.39) MAOBPDE4APDE4BPDE4CPDE4D
SCHEMBL9456820 0.69 EPHX1 (0.40) SLC6A2SLC6A4SLC6A3PDE4APDE4B
SCHEMBL4080761 0.68 LMNA (0.39) LMNACYP3A4ALOX15CA1CA2
SCHEMBL4746571 0.68 LMNA (0.39) LMNACYP3A4ALOX15CA1CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050119231-A1 Quinolone antibacterial agents ELLSWORTH EDMUND L (US) 2005-06-02 US disclosed
US-20050107423-A1 Quinolone antibacterial agents ELLSWORTH EDMUND L (US) 2005-05-19 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 (2 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-20050119231-A1 Quinolone antibacterial agents NQO2, MRPL21, TOP1 LMNA 2252/4885SLC6A2 2565/4885SLC6A4 3457/4885
US-20050107423-A1 Quinolone antibacterial agents NQO2, MRPL21, TOP1 LMNA 2252/4885SLC6A2 2565/4885SLC6A4 3457/4885

“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.