SCHEMBL2192978

SCHEMBL2192978

Cc1cc(C(c2cc(C)c(O)cc2C)c2cc(C3(c4cc(C)c(OCc5ccc(C(=O)O)cc5)c(C(c5cc(C)c(O)cc5C)c5cc(C)c(O)cc5C)c4)CCC(C(C)(C)C4CCC(c5cc(C)c(OCc6ccc(C(=O)O)cc6)c(C(c6cc(C)c(O)cc6C)c6cc(C)c(O)cc6C)c5)(c5cc(C)c(OCc6ccc(C(=O)O)cc6)c(C(c6cc(C)c(O)cc6C)c6cc(C)c(O)cc6C)c5)CC4)CC3)cc(C)c2OCc2ccc(C(=O)O)cc2)c(C)cc1O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.34
RXRB P28702 10/20 0.34
RXRG P48443 6/20 0.34
NR4A2 P43354 1/20 0.33
HNF4A P41235 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
GRM2 Q14416 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
SCHEMBL2190666 0.92 LMNA (0.36) NPC1RAB9ASMN1; SMN2ALOX5APFEN1
SCHEMBL2193259 0.85 THRA (0.33)
SCHEMBL2193878 0.82
SCHEMBL2194529 0.82
SCHEMBL17449529 0.81 THRA (0.31)
SCHEMBL17449443 0.81 THRA (0.30)
SCHEMBL2196326 0.81 THRA (0.33)
SCHEMBL930522 0.80 RXRA (0.43) RXRARXRBRXRGNR4A2NPC1
SCHEMBL2194955 0.80 KDM4E (0.38) RXRARXRBRXRGNR4A2NPC1
SCHEMBL12419984 0.79

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 RXRA 603/4885RXRB 661/4885RXRG 454/4885
US-20110172457-A1 TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED FROM THE SAME AHR, PAH, ARNT RXRA 82/4885RXRB 86/4885RXRG 48/4885

“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.