SCHEMBL1276673

SCHEMBL1276673

Cc1cc(Cc2ccc(OCC(=O)O)c(C(c3cc(C4CCCCC4)c(O)cc3C)c3cc(C4CCCCC4)c(O)cc3C)c2)c(OCC(=O)O)c(Cc2ccc(OCC(=O)O)c(C(c3cc(C4CCCCC4)c(O)cc3C)c3cc(C4CCCCC4)c(O)cc3C)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.48
PTGDR Q13258 6/20 0.42
PTGER2 P43116 1/20 0.42
THRB P10828 6/20 0.41
THRA P10827 4/20 0.41
ELANE P08246 1/20 0.35
PTPN1 P18031 1/20 0.34

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
SCHEMBL12901924 0.93 PTGDR2 (0.42) PTGDR2PTGDRPTGER2THRBTHRA
SCHEMBL12567856 0.91 PTGDR2 (0.53) PTGDR2PTGDRPTGER2THRBTHRA
SCHEMBL1276534 0.86 THRB (0.43) PTGDR2THRBTHRAELANEPTPN1
SCHEMBL15334636 0.84 THRB (0.41) PTGDR2THRBTHRAELANEPTPN1
SCHEMBL12619826 0.81 PTGDR2 (0.41) PTGDR2PTGDRPTGER2THRBTHRA
SCHEMBL931034 0.79 RXRA (0.44) PTGDR2THRBTHRA
SCHEMBL12901920 0.79 THRB (0.38) PTGDR2THRBTHRAELANE
SCHEMBL3902915 0.78 NUDT1 (0.39) THRBTHRA
SCHEMBL1276108 0.78 ELANE (0.49) THRBTHRAELANEPTPN1
SCHEMBL1276580 0.77 THRB (0.40) PTGDR2PTGER2THRBTHRAELANE

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-8563770-B2 Bis(formylphenyl) compound and novel polynuclear polyphenol compound derived from the same HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2013-10-22 US disclosed
US-8563770-B2 Bis(formylphenyl) compound and novel polynuclear polyphenol compound derived from the same HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2013-10-22 US disclosed
US-20120289735-A1 NOVEL BIS(FORMYLPHENYL) COMPOUND AND NOVEL POLYNUCLEAR POLYPHENOL COMPOUND DERIVED FROM THE SAME HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2012-11-15 US disclosed
US-20120289735-A1 NOVEL BIS(FORMYLPHENYL) COMPOUND AND NOVEL POLYNUCLEAR POLYPHENOL COMPOUND DERIVED FROM THE SAME HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2012-11-15 US disclosed
US-20110028752-A1 NOVEL BIS(FORMYLPHENYL) COMPOUND AND NOVEL POLYNUCLEAR POLYPHENOL COMPOUND DERIVED FROM THE SAME HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2011-02-03 US disclosed
US-20110028752-A1 NOVEL BIS(FORMYLPHENYL) COMPOUND AND NOVEL POLYNUCLEAR POLYPHENOL COMPOUND DERIVED FROM THE SAME HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2011-02-03 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 (2 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-20110028752-A1 NOVEL BIS(FORMYLPHENYL) COMPOUND AND NOVEL POLYNUCLEAR POLYPHENOL COMPOUND DERIVED FROM THE SAME PAH, PCBP1, MLLT1 PTGDR2 4277/4885PTGDR 4522/4885PTGER2 4236/4885
US-20120289735-A1 NOVEL BIS(FORMYLPHENYL) COMPOUND AND NOVEL POLYNUCLEAR POLYPHENOL COMPOUND DERIVED FROM THE SAME SLC11A2, PCBP1, NFE2L2 PTGDR2 2934/4885PTGDR 4168/4885PTGER2 2423/4885

“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.