SCHEMBL4450826

SCHEMBL4450826

Cc1cc(Cc2ccc(O)c(C(c3ccc(O)cc3C)c3ccc(O)cc3C)c2)c(O)c(Cc2ccc(O)c(C(c3ccc(O)cc3C)c3ccc(O)cc3C)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.44
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
THRA P10827 7/20 0.35
THRB P10828 7/20 0.35
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALOX5 P09917 1/20 0.34
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33

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
SCHEMBL1417388 0.85 AMY1A (0.45) AMY1AESR1ESR2THRATHRB
SCHEMBL4463547 0.84 AMY1A (0.46) AMY1AESR1ESR2THRATHRB
SCHEMBL4451934 0.82 AMY1A (0.44) AMY1AESR1ESR2THRATHRB
SCHEMBL4456786 0.81 AMY1A (0.46) AMY1AESR1ESR2THRATHRB
SCHEMBL4461680 0.80 CYP2C9 (0.46) AMY1AESR1ESR2THRATHRB
SCHEMBL4450887 0.80 ESR1 (0.46) AMY1AESR1ESR2THRATHRB
SCHEMBL4450286 0.76 AMY1A (0.44) AMY1AESR1ESR2THRATHRB
SCHEMBL3902915 0.76 NUDT1 (0.39) AMY1AESR1ESR2THRATHRB
SCHEMBL4449524 0.75 ESR1 (0.41) AMY1AESR1ESR2THRATHRB
SCHEMBL29636485 0.75 ESR1 (0.68) AMY1AESR1ESR2THRATHRB

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 AMY1A 4533/4885ESR1 1880/4885ESR2 2910/4885

“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.