SCHEMBL930499

SCHEMBL930499

Cc1ccc(O)c(C(c2cc(C)ccc2O)c2cc(Cc3ccc(OCc4ccc(C(=O)O)cc4)c(C(c4cc(C)ccc4O)c4cc(C)ccc4O)c3)ccc2OCc2ccc(C(=O)O)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.46
RXRB P28702 6/20 0.46
RXRG P48443 5/20 0.46
KDM4E B2RXH2 1/20 0.45
MRGPRX4 Q96LA9 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
FOLH1 Q04609 1/20 0.44
SRD5A2 P31213 1/20 0.42
POLB P06746 3/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL929920 0.85 RXRA (0.50) RXRARXRBRXRGMRGPRX4SMN1; SMN2
SCHEMBL929990 0.84 RXRA (0.49) RXRARXRBRXRGMRGPRX4SMN1; SMN2
SCHEMBL930064 0.84 MRGPRX4 (0.46) RXRARXRBRXRGMRGPRX4SMN1; SMN2
SCHEMBL931648 0.83 RXRA (0.48) RXRARXRBRXRGMRGPRX4SMN1; SMN2
SCHEMBL931227 0.83 RXRA (0.47) RXRARXRBRXRGKDM4EMRGPRX4
SCHEMBL930460 0.81 RXRA (0.48) RXRARXRBRXRGKDM4EMRGPRX4
SCHEMBL930478 0.78 RXRA (0.49) RXRARXRBRXRGMRGPRX4SMN1; SMN2
SCHEMBL4062427 0.78 ESR1 (0.52) KDM4EHPGDRAB9APOLBMEN1
SCHEMBL931034 0.76 RXRA (0.44) RXRARXRBRXRGMRGPRX4SMN1; SMN2
SCHEMBL12908776 0.74 MAPT (0.49) SMN1; SMN2HPGDNPC1RAB9AMEN1

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.