SCHEMBL2192939

SCHEMBL2192939

Cc1cc(C2(c3cc(C)c(OCC(=O)O)c(C=O)c3)CCC(c3cc(C)c(OCC(=O)O)c(C=O)c3)(c3cc(C)c(OCC(=O)O)c(C=O)c3)CC2)cc(C=O)c1OCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.39
CD69 Q07108 2/20 0.37
ELANE P08246 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
MCL1 Q07820 1/20 0.35
THRA P10827 2/20 0.34
THRB P10828 2/20 0.34
HPGD P15428 2/20 0.34
PTPRB P23467 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ACHE P22303 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
S1PR1 P21453 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 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
SCHEMBL2195934 0.91 PTGDR2 (0.35) PTGDR2CD69ELANEALDH1A1CYP1A2
SCHEMBL17435973 0.90 PTGDR2 (0.35) PTGDR2CD69ELANEALDH1A1CYP1A2
SCHEMBL2194758 0.89 PPARG (0.34) PTGDR2CD69ELANEALDH1A1CYP1A2
SCHEMBL2192005 0.87 CD69 (0.36) PTGDR2CD69ELANEALDH1A1CYP1A2
SCHEMBL2191987 0.87 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP2C19HPGDHSD17B10
SCHEMBL17435986 0.86 PTGDR2 (0.34) PTGDR2CD69ELANEALDH1A1CYP1A2
SCHEMBL12419961 0.81 ALDH1A1 (0.37) PTGDR2CD69ELANEALDH1A1CYP1A2
SCHEMBL2193064 0.79 ALDH1A1 (0.38) PTGDR2ALDH1A1CYP1A2CYP2C19HPGD
SCHEMBL12508638 0.79 ELANE (0.30) CD69ELANEALDH1A1CYP1A2CYP2C19
SCHEMBL2195561 0.78 ALDH1A1 (0.37) PTGDR2ALDH1A1CYP1A2CYP2C19HSD17B10

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 PTGDR2 1606/4885CD69 1548/4885ELANE 2932/4885
US-20110172457-A1 TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED FROM THE SAME AHR, PAH, ARNT PTGDR2 3308/4885CD69 288/4885ELANE 3295/4885

“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.