SCHEMBL2194758

SCHEMBL2194758

Cc1cc(C2(c3cc(C)c(OCC(=O)O)c(C=O)c3)CCC(CC3CCC(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 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.34
CD69 Q07108 2/20 0.32
ELANE P08246 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
S1PR1 P21453 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
FFAR4 Q5NUL3 2/20 0.31
MCL1 Q07820 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
SCHEMBL2195934 0.91 PTGDR2 (0.35) PPARGPPARDPTGDR2CD69ELANE
SCHEMBL17435986 0.90 PTGDR2 (0.34) PPARGPPARDPTGDR2CD69ELANE
SCHEMBL17435973 0.90 PTGDR2 (0.35) PPARGPPARDPTGDR2CD69ELANE
SCHEMBL2192939 0.89 PTGDR2 (0.39) PPARGPPARDPTGDR2CD69ELANE
SCHEMBL2195561 0.89 ALDH1A1 (0.37) PTGDR2ALDH1A1CYP1A2CYP2C19HSD17B10
SCHEMBL2192005 0.87 CD69 (0.36) PPARGPPARDPTGDR2CD69ELANE
SCHEMBL12419961 0.81 ALDH1A1 (0.37) PPARGPPARDPTGDR2CD69ELANE
SCHEMBL17435987 0.80 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL2193064 0.80 ALDH1A1 (0.38) PTGDR2ALDH1A1CYP1A2CYP2C19TSHR
SCHEMBL12508638 0.79 ELANE (0.30) CD69ELANEALDH1A1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20110172457-A1 TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED FROM THE SAME AHR, PAH, ARNT PPARG 14/4885PPARD 126/4885PTGDR2 3308/4885

“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.