SCHEMBL4449452

SCHEMBL4449452

Cc1cc(C(c2ccc(O)c(C)c2)c2cc(Cc3cc(C4(c5cc(Cc6ccc(O)c(C(c7ccc(O)c(C)c7)c7ccc(O)c(C)c7)c6)c(O)c(C6CCCCC6)c5)CCCCC4)cc(C4CCCCC4)c3O)ccc2O)ccc1O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.40
ACHE P22303 1/20 0.34
NUDT1 P36639 1/20 0.32
BACE1 P56817 1/20 0.32

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
SCHEMBL4463446 0.94 ACHE (0.40) ESR1ESR2ACHENUDT1BACE1
SCHEMBL4452905 0.93 ACHE (0.37) ESR1ESR2ACHENUDT1BACE1
SCHEMBL4450794 0.92 NUDT1 (0.38) ESR1ESR2NUDT1BACE1
SCHEMBL4447314 0.91 NUDT1 (0.32) ESR1ESR2ACHENUDT1BACE1
SCHEMBL4459132 0.90 NUDT1 (0.34) ESR1ESR2NUDT1BACE1
SCHEMBL4449473 0.89 NUDT1 (0.31) NUDT1BACE1
SCHEMBL3179121 0.89 ESR1 (0.37) ESR1ESR2ACHENUDT1BACE1
SCHEMBL4452817 0.89 ATM (0.31) NUDT1BACE1
SCHEMBL13708135 0.88 ESR1 (0.48) ESR1ESR2ACHENUDT1BACE1
SCHEMBL4447335 0.87 ESR1 (0.35) ESR1ESR2ACHENUDT1BACE1

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-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

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 ESR1 1880/4885ESR2 2910/4885ACHE 856/4885

“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.