SCHEMBL16048625

SCHEMBL16048625

O=C1c2cccnc2OC(c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ TP53 P04637 5/20 0.40
▸ MAPT P10636 4/20 0.40
▸ TNKS2 Q9H2K2 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ THRB P10828 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ APP P05067 1/20 0.37
▸ PTGER1 P34995 2/20 0.37
▸ CYP19A1 P11511 2/20 0.37
▸ CYP11B1 P15538 2/20 0.37
▸ CYP11B2 P19099 2/20 0.37
▸ SGMS2 Q8NHU3 1/20 0.37
▸ LTA4H P09960 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ RET P07949 1/20 0.36

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
SCHEMBL17085404 0.78 RET (0.46) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL14862184 0.76 IDO1 (0.61) MAPTAPPRETKDR
SCHEMBL14690823 0.75 CYP19A1 (0.42) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7242379 0.74 ALDH1A1 (0.57) TP53MAPTTDP1ALDH1A1LMNA
SCHEMBL21738208 0.70 CYP3A4 (0.56) TP53MAPTTDP1ALDH1A1LMNA
SCHEMBL10608985 0.69 ALDH1A1 (0.67) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL21722487 0.69 CYP2C9 (0.61) TP53MAPTTDP1ALDH1A1LMNA
SCHEMBL21738284 0.68 CYP3A4 (0.66) TP53MAPTTDP1ALDH1A1LMNA
SCHEMBL14427922 0.67 ALDH1A1 (0.45) PDE4APDE4BPDE4CPDE4DTDP1
SCHEMBL28320416 0.66 ALDH1A1 (0.56) TP53MAPTTDP1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140275156-A1 FLAVONOID COMPOUNDS, AND METHODS OF USE THEREOF NEUPROTECT PTY LTD (AU) 2014-09-18 — — 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-20140275156-A1 FLAVONOID COMPOUNDS, AND METHODS OF USE THEREOF BAX, MAPKAPK2, MAPK6 PDE4A 3285/4885PDE4B 2723/4885PDE4C 3073/4885

“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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