SCHEMBL2193064

SCHEMBL2193064

COC(=O)COc1c(C)cc(C2(c3cc(C)c(OCC(=O)OC)c(C=O)c3)CCC(C3CCC(c4cc(C)c(OCC(=O)OC)c(C=O)c4)(c4cc(C)c(OCC(=O)OC)c(C=O)c4)CC3)CC2)cc1C=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
HSD17B10 Q99714 1/20 0.32
PTGDR Q13258 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
LMNA P02545 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
SCHEMBL2191987 0.92 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP2C19KDM4EKMT2A
SCHEMBL2195561 0.91 ALDH1A1 (0.37) ALDH1A1CYP1A2CYP2C19KDM4EKMT2A
SCHEMBL2194092 0.89 ALDH1A1 (0.36) ALDH1A1CYP1A2CYP2C19KDM4EKMT2A
SCHEMBL2195934 0.88 PTGDR2 (0.35) ALDH1A1CYP1A2CYP2C19KDM4EKMT2A
SCHEMBL17435987 0.88 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP2C19KDM4EKMT2A
SCHEMBL12855089 0.87 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP2C19KDM4EKMT2A
SCHEMBL12419957 0.84 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP2C19KDM4EKMT2A
SCHEMBL17435973 0.81 PTGDR2 (0.35) ALDH1A1CYP1A2CYP2C19KDM4EKMT2A
SCHEMBL12419995 0.80 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP2C19KDM4EKMT2A
SCHEMBL2194758 0.80 PPARG (0.34) ALDH1A1CYP1A2CYP2C19KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522868-B2 Tetrakis(ether-substituted formylphenyl) HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2016-12-20 US disclosed
US-20160016884-A1 NEW TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2016-01-21 US disclosed
US-20110172457-A1 TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED FROM THE SAME HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2011-07-14 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-20160016884-A1 NEW TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) AHR, PAH, ALK ALDH1A1 1415/4885CYP1A2 68/4885CYP2C19 487/4885
US-20110172457-A1 TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED FROM THE SAME AHR, PAH, ARNT ALDH1A1 2089/4885CYP1A2 353/4885CYP2C19 2659/4885

“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.