SCHEMBL930522

SCHEMBL930522

Cc1cc(C(c2cc(C)c(O)cc2C)c2cc(C(C)(C)c3cc(C)c(OCc4ccc(C(=O)O)cc4)c(C(c4cc(C)c(O)cc4C)c4cc(C)c(O)cc4C)c3)cc(C)c2OCc2ccc(C(=O)O)cc2)c(C)cc1O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.43
RXRB P28702 9/20 0.43
NR4A2 P43354 3/20 0.43
RXRG P48443 5/20 0.41
NR4A1 P22736 1/20 0.38
NR4A3 Q92570 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 2/20 0.36
MRGPRX4 Q96LA9 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL3452356 0.94 RXRA (0.41) RXRARXRBNR4A2RXRGNR4A1
SCHEMBL930643 0.87 RXRA (0.50) RXRARXRBNR4A2RXRGNR4A1
SCHEMBL3453032 0.82 RXRA (0.40) RXRARXRBNR4A2RXRGNR4A1
SCHEMBL3452018 0.82 RXRA (0.40) RXRARXRBNR4A2RXRGNR4A1
SCHEMBL3452350 0.81 ALOX5AP (0.36) RXRARXRBNR4A2RXRGNR4A1
SCHEMBL2192978 0.80 RXRA (0.34) RXRARXRBNR4A2RXRGNPC1
SCHEMBL3453718 0.78 RXRA (0.41) RXRARXRBNR4A2RXRGNR4A1
SCHEMBL929990 0.78 RXRA (0.49) RXRARXRBRXRGNPC1POLB
SCHEMBL930478 0.78 RXRA (0.49) RXRARXRBRXRGNPC1POLB
SCHEMBL2192012 0.77 THRA (0.38) SMN1; SMN2

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 3023/4885NR4A2 2081/4885

“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.