SCHEMBL4452830

SCHEMBL4452830

Cc1cc(Cc2ccc(O)c(C(c3cc(C)c(O)c(C4CCCCC4)c3)c3cc(C)c(O)c(C4CCCCC4)c3)c2)c(O)c(Cc2ccc(O)c(C(c3cc(C)c(O)c(C4CCCCC4)c3)c3cc(C)c(O)c(C4CCCCC4)c3)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.36
BACE1 P56817 1/20 0.36
AMY1A P0DUB6 1/20 0.36
THRA P10827 2/20 0.31
THRB P10828 2/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31

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
SCHEMBL4463472 0.89 NUDT1 (0.43) NUDT1BACE1AMY1ATHRATHRB
SCHEMBL4452905 0.86 ACHE (0.37) NUDT1BACE1ESR1ESR2
SCHEMBL3902915 0.84 NUDT1 (0.39) NUDT1BACE1AMY1ATHRATHRB
SCHEMBL4456786 0.84 AMY1A (0.46) AMY1ATHRATHRBESR1ESR2
SCHEMBL4463446 0.82 ACHE (0.40) NUDT1BACE1ESR1ESR2
SCHEMBL4450887 0.78 ESR1 (0.46) AMY1ATHRATHRBESR1ESR2
SCHEMBL2515760 0.78 GABRA1 (0.34) NUDT1BACE1
SCHEMBL29484427 0.78 GABRA1 (0.34) NUDT1BACE1
SCHEMBL4449452 0.78 ESR1 (0.40) NUDT1BACE1ESR1ESR2
SCHEMBL4447371 0.77 NUDT1 (0.39) NUDT1BACE1THRATHRBESR1

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 NUDT1 753/4885BACE1 4145/4885AMY1A 4533/4885

“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.