SCHEMBL4449585

SCHEMBL4449585

O=Cc1cccc(Cc2cc(C3(c4cc(Cc5cccc(C=O)c5O)c(O)c(C5CCCCC5)c4)CCCCC3)cc(C3CCCCC3)c2O)c1O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.32
ERN1 O75460 2/20 0.31
HSP90AA1 P07900 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4455316 0.92 ERN1 (0.32) ERN1
SCHEMBL4452625 0.85 ESR1 (0.34) ACHEHSP90AA1KDM4EMEN1MAPT
SCHEMBL3179169 0.82 CDK1 (0.37) ACHEERN1HSP90AA1
SCHEMBL4455212 0.81 HSP90AA1 (0.34) ACHEHSP90AA1KDM4EMEN1MAPT
SCHEMBL13708132 0.81 ACHE (0.37) ACHE
SCHEMBL3194500 0.80 ESR1 (0.37) ACHEHSP90AA1KDM4EMEN1MAPT
SCHEMBL30375240 0.80 ESR1 (0.37) ACHEHSP90AA1KDM4EMEN1MAPT
SCHEMBL29831687 0.80 ESR1 (0.37) ACHEHSP90AA1KDM4EMEN1MAPT
SCHEMBL1276732 0.78 HDAC4 (0.38) ERN1HSP90AA1
SCHEMBL22534424 0.77 ESR1 (0.38) ACHEHSP90AA1KDM4EMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7586009-B2 Bis-(hydroxybenzaldehyde) compound and novel polynuclear polyphenol compound derived therefrom and method for production thereof HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2009-09-08 US disclosed
US-7586009-B2 Bis-(hydroxybenzaldehyde) compound and novel polynuclear polyphenol compound derived therefrom and method for production thereof HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2009-09-08 US disclosed
US-7586009-B2 Bis-(hydroxybenzaldehyde) compound and novel polynuclear polyphenol compound derived therefrom and method for production thereof HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2009-09-08 US disclosed
US-20090076310-A1 NOVEL BIS-(HYDROXYBENZALDEHYDE) COMPOUND AND NOVEL POLYNUCLEAR POLYPHENOL COMPOUND DERIVED THEREFROM AND METHOD FOR PRODUCTION THEREOF HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2009-03-19 US disclosed
US-20090076310-A1 NOVEL BIS-(HYDROXYBENZALDEHYDE) COMPOUND AND NOVEL POLYNUCLEAR POLYPHENOL COMPOUND DERIVED THEREFROM AND METHOD FOR PRODUCTION THEREOF HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2009-03-19 US disclosed
US-20090076310-A1 NOVEL BIS-(HYDROXYBENZALDEHYDE) COMPOUND AND NOVEL POLYNUCLEAR POLYPHENOL COMPOUND DERIVED THEREFROM AND METHOD FOR PRODUCTION THEREOF HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2009-03-19 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 (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-20090076310-A1 NOVEL BIS-(HYDROXYBENZALDEHYDE) COMPOUND AND NOVEL POLYNUCLEAR POLYPHENOL COMPOUND DERIVED THEREFROM AND METHOD FOR PRODUCTION THEREOF DDT, PAH, HPD ACHE 856/4885ERN1 4774/4885HSP90AA1 793/4885

“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.