SCHEMBL2192005

SCHEMBL2192005

Cc1cc(C2(c3cc(C)c(OCC(=O)O)c(C=O)c3)CCC(C(C)(C)C3CCC(c4cc(C)c(OCC(=O)O)c(C=O)c4)(c4cc(C)c(OCC(=O)O)c(C=O)c4)CC3)CC2)cc(C=O)c1OCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CD69 Q07108 2/20 0.36
ELANE P08246 1/20 0.36
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PTGDR2 Q9Y5Y4 3/20 0.33
S1PR1 P21453 1/20 0.32
S1PR5 Q9H228 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL12419961 0.93 ALDH1A1 (0.37) CD69ELANEPPARGPPARDPTGDR2
SCHEMBL12508638 0.91 ELANE (0.30) CD69ELANES1PR1S1PR5ALDH1A1
SCHEMBL2194092 0.89 ALDH1A1 (0.36) ALDH1A1CYP1A2CYP2C19HSD17B10MEN1
SCHEMBL2195934 0.89 PTGDR2 (0.35) CD69ELANEPPARGPPARDPTGDR2
SCHEMBL17435973 0.88 PTGDR2 (0.35) CD69ELANEPPARGPPARDPTGDR2
SCHEMBL2192939 0.87 PTGDR2 (0.39) CD69ELANEPPARGPPARDPTGDR2
SCHEMBL2194758 0.87 PPARG (0.34) CD69ELANEPPARGPPARDPTGDR2
SCHEMBL17435986 0.86 PTGDR2 (0.34) CD69ELANEPPARGPPARDPTGDR2
SCHEMBL12419952 0.85 ALDH1A1 (0.32) ALDH1A1CYP1A2CYP2C19
SCHEMBL12419957 0.84 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP2C19TSHRMEN1

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 4 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
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 CD69 1548/4885ELANE 2932/4885PPARG 847/4885
US-20110172457-A1 TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED FROM THE SAME AHR, PAH, ARNT CD69 288/4885ELANE 3295/4885PPARG 14/4885

“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.