SCHEMBL20437647

SCHEMBL20437647

Oc1cc(O)cc(/C=C/c2c(O)cc(O)c(/C=C/c3cc(O)c(O)c(O)c3)c2O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.56
TTR P02766 6/20 0.55
KDM4E B2RXH2 4/20 0.52
LMNA P02545 4/20 0.52
TP53 P04637 3/20 0.52
CYP1A2 P05177 3/20 0.52
CYP3A4 P08684 3/20 0.52
CYP2C9 P11712 3/20 0.52
HIF1A Q16665 3/20 0.52
HSD17B10 Q99714 3/20 0.52
MEN1 O00255 3/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.52
HPGD P15428 3/20 0.52
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALOX12 P18054 3/20 0.52
ALOX5 P09917 3/20 0.52
PKM P14618 2/20 0.52
ALOX15 P16050 2/20 0.52

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
SCHEMBL15026079 0.92 PTGS2 (0.44) LCKTTRKDM4ELMNATP53
SCHEMBL1393726 0.87 LCK (0.74) LCKTTRKDM4ELMNATP53
SCHEMBL1393728 0.87 LCK (0.74) LCKTTRKDM4ELMNATP53
SCHEMBL15024175 0.82 CYP3A4 (0.41) LCKTTRKDM4ELMNATP53
SCHEMBL13409615 0.81 PTGS1 (0.47) TTRCYP1A2CYP3A4CYP2C9ALOX5
SCHEMBL4608757 0.78 PTGS2 (0.54) LCKTTRKDM4ELMNATP53
SCHEMBL4608754 0.78 PTGS2 (0.54) LCKTTRKDM4ELMNATP53
SCHEMBL720794 0.75 LCK (1.00) LCKTTRKDM4ELMNATP53
SCHEMBL720795 0.75 LCK (1.00) LCKTTRKDM4ELMNATP53
SCHEMBL676426 0.71 TTR (1.00) LCKTTRKDM4ELMNATP53

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-20180214387-A1 AQUEOUS SOLUTION COMPRISING A POLYPHENOL OPTERION HEALTH AG (CH) 2018-08-02 US disclosed
US-20180214387-A1 AQUEOUS SOLUTION COMPRISING A POLYPHENOL OPTERION HEALTH AG (CH) 2018-08-02 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-20180214387-A1 AQUEOUS SOLUTION COMPRISING A POLYPHENOL SORD, AQP1, SI LCK 3959/4885TTR 220/4885KDM4E 3435/4885

“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.