SCHEMBL14616680

SCHEMBL14616680

Cc1cc(OCc2ccccc2)c(C(=O)/C=C/c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c(OCc2ccccc2)c1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.65
▸ KDM4E B2RXH2 2/20 0.65
▸ PDE4A P27815 1/20 0.65
▸ PDE4B Q07343 1/20 0.65
▸ PDE4C Q08493 1/20 0.65
▸ PDE4D Q08499 1/20 0.65
▸ ALDH1A1 P00352 3/20 0.61
▸ THRB P10828 1/20 0.61
▸ APP P05067 6/20 0.58
▸ AKR1C3 P42330 2/20 0.57
▸ HPGD P15428 2/20 0.55
▸ HTT P42858 1/20 0.55
▸ SLC5A1 P13866 1/20 0.53
▸ SLC5A2 P31639 1/20 0.53

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
SCHEMBL3407236 0.87 PDE4A (0.55) LMNAKDM4EPDE4APDE4BPDE4C
SCHEMBL12808163 0.86 MAOB (0.66) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL1682158 0.86 MAOB (0.66) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL10610437 0.85 PDE4A (0.74) LMNAKDM4EPDE4APDE4BPDE4C
SCHEMBL10610432 0.85 PDE4A (0.74) LMNAKDM4EPDE4APDE4BPDE4C
SCHEMBL25266006 0.84 SLC5A1 (0.74) LMNAKDM4EPDE4APDE4BPDE4C
SCHEMBL17523254 0.84 PDE4A (0.55) LMNAKDM4EPDE4APDE4BPDE4C
SCHEMBL30383068 0.84 PDE4A (0.55) LMNAKDM4EPDE4APDE4BPDE4C
SCHEMBL3673937 0.84 SLC5A1 (0.66) LMNAKDM4EPDE4APDE4BPDE4C
SCHEMBL31233231 0.84 SLC5A1 (0.66) LMNAKDM4EPDE4APDE4BPDE4C

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-9181293-B2 Method for the synthesis of aspalathin and analogues thereof SOUTH AFRICAN MEDICAL RESEARCH COUNCIL (ZA) 2015-11-10 — — US disclosed
US-20130018182-A1 Method for the Synthesis of Aspalathin and Analogues Thereof SOUTH AFRICAN MEDICAL RESEARCH COUNCIL (ZA) 2013-01-17 — — 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-20130018182-A1 Method for the Synthesis of Aspalathin and Analogues Thereof ASPH, C9, ALDH3A1 LMNA 3392/4885KDM4E 550/4885PDE4A 4382/4885

“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.

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