SCHEMBL2194955

SCHEMBL2194955

Cc1cc(C2(c3cc(C)c(OCc4ccc(C(=O)O)cc4)c(C=O)c3)CCC(C(C)(C)C3CCC(c4cc(C)c(OCc5ccc(C(=O)O)cc5)c(C=O)c4)(c4cc(C)c(OCc5ccc(C(=O)O)cc5)c(C=O)c4)CC3)CC2)cc(C=O)c1OCc1ccc(C(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RXRA P19793 10/20 0.38
RXRB P28702 9/20 0.38
RXRG P48443 6/20 0.38
NR4A2 P43354 1/20 0.37
GRM2 Q14416 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 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
SCHEMBL2193582 0.91 RAB9A (0.39) KDM4EALDH1A1NPC1RAB9AKMT2A
SCHEMBL2192978 0.80 RXRA (0.34) RXRARXRBRXRGNR4A2GRM2
SCHEMBL12419961 0.77 ALDH1A1 (0.37) KDM4EALDH1A1POLB
SCHEMBL12508638 0.75 ELANE (0.30) ALDH1A1
SCHEMBL12419957 0.75 ALDH1A1 (0.41) KDM4EALDH1A1KMT2A
SCHEMBL2190913 0.72 ACHE (0.43)
SCHEMBL2195934 0.72 PTGDR2 (0.35) KDM4EALDH1A1KMT2A
SCHEMBL2190666 0.71 LMNA (0.36) KDM4EALDH1A1NPC1RAB9AKMT2A
SCHEMBL17435973 0.71 PTGDR2 (0.35) KDM4EALDH1A1KMT2ATDP1POLB
SCHEMBL12855089 0.71 ALDH1A1 (0.39) KDM4EALDH1A1KMT2A

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 KDM4E 1312/4885ALDH1A1 1415/4885RXRA 603/4885
US-20110172457-A1 TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED FROM THE SAME AHR, PAH, ARNT KDM4E 1056/4885ALDH1A1 2089/4885RXRA 82/4885

“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.