SCHEMBL931584

SCHEMBL931584

CC(C)(c1ccc(OCc2ccc(C(=O)O)cc2)c(C=O)c1)c1ccc(OCc2ccc(C(=O)O)cc2)c(C=O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.59
RXRB P28702 9/20 0.59
RXRG P48443 7/20 0.59
NR4A2 P43354 2/20 0.53
MRGPRX4 Q96LA9 3/20 0.49
HPGD P15428 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
FOLH1 Q04609 1/20 0.48
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
PAX8 Q06710 1/20 0.47
KLF5 Q13887 1/20 0.47
HIF1A Q16665 1/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
NR4A1 P22736 1/20 0.46

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
SCHEMBL931224 0.88 MAPT (0.51) RXRARXRBRXRGMRGPRX4HPGD
SCHEMBL12943876 0.83 ALDH1A1 (0.44) RXRARXRBRXRGHPGDNPC1
SCHEMBL930474 0.83 MRGPRX4 (0.55) RXRARXRBRXRGMRGPRX4HPGD
SCHEMBL29955503 0.81 PTGDR2 (0.62) RXRARXRBRXRGMRGPRX4HPGD
SCHEMBL9082648 0.79 NR4A2 (0.54) RXRARXRBRXRGNR4A2MRGPRX4
SCHEMBL769395 0.78 MRGPRX4 (0.51) RXRARXRBRXRGNR4A2MRGPRX4
SCHEMBL6341223 0.77 KMT2A (0.66) RXRARXRBRXRGNR4A2HPGD
SCHEMBL29953305 0.77 KMT2A (0.66) RXRARXRBRXRGNR4A2HPGD
SCHEMBL29957516 0.77 MAP4K4 (0.57) RXRARXRBRXRGNR4A2MRGPRX4
SCHEMBL15330209 0.77 MAP4K4 (0.57) RXRARXRBRXRGNR4A2MRGPRX4

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-7875743-B2 such as bis(3-formyl-4-(4-methoxycarbonylphenyl)methoxyphenyl)methane, by reacting bis(hydroxymethyl-hydroxyphenyl)alkane with hexamethylene tetramine in presence of acid and hydrolyzing, then reacting with halogenated alkoxycarbonyl hydrocarbon in presence of base HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2011-01-25 US claimed
US-20100016633-A1 such as bis(3-formyl-4-(4-methoxycarbonylphenyl)methoxyphenyl)methane, by reacting bis(hydroxymethyl-hydroxyphenyl)alkane with hexamethylene tetramine in presence of acid and hydrolyzing, then reacting with halogenated alkoxycarbonyl hydrocarbon in presence of base HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2010-01-21 US claimed
US-7875743-B2 such as bis(3-formyl-4-(4-methoxycarbonylphenyl)methoxyphenyl)methane, by reacting bis(hydroxymethyl-hydroxyphenyl)alkane with hexamethylene tetramine in presence of acid and hydrolyzing, then reacting with halogenated alkoxycarbonyl hydrocarbon in presence of base HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2011-01-25 US disclosed
US-20100016633-A1 such as bis(3-formyl-4-(4-methoxycarbonylphenyl)methoxyphenyl)methane, by reacting bis(hydroxymethyl-hydroxyphenyl)alkane with hexamethylene tetramine in presence of acid and hydrolyzing, then reacting with halogenated alkoxycarbonyl hydrocarbon in presence of base HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2010-01-21 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-20100016633-A1 such as bis(3-formyl-4-(4-methoxycarbonylphenyl)methoxyphenyl)methane, by reacting bis(hydroxymethyl-hydroxyphenyl)alkane with hexamethylene tetramine in presence of acid and hydrolyzing, then reacting with halogenated alkoxycarbonyl hydrocarbon in presence of base PAH, PGM2, HNMT RXRA 2980/4885RXRB 3023/4885RXRG 2895/4885

“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.