SCHEMBL930064

SCHEMBL930064

O=C(O)c1ccc(COc2ccc(Cc3ccc(OCc4ccc(C(=O)O)cc4)c(C(c4ccc(O)c(O)c4O)c4ccc(O)c(O)c4O)c3)cc2C(c2ccc(O)c(O)c2O)c2ccc(O)c(O)c2O)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.46
HPGD P15428 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
FOLH1 Q04609 1/20 0.45
RXRA P19793 11/20 0.43
RXRB P28702 10/20 0.43
RXRG P48443 8/20 0.43
POLB P06746 2/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
TP53 P04637 1/20 0.40
PAX8 Q06710 1/20 0.40
KLF5 Q13887 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL930499 0.84 RXRA (0.46) MRGPRX4HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL929920 0.83 RXRA (0.50) MRGPRX4HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL929990 0.82 RXRA (0.49) MRGPRX4HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL930460 0.81 RXRA (0.48) MRGPRX4HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL931648 0.81 RXRA (0.48) MRGPRX4HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL931227 0.78 RXRA (0.47) MRGPRX4HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL930478 0.75 RXRA (0.49) MRGPRX4HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL931034 0.74 RXRA (0.44) MRGPRX4HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL930643 0.70 RXRA (0.50) MRGPRX4HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL930474 0.70 MRGPRX4 (0.55) MRGPRX4HPGDNPC1RAB9ASMN1; 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 MRGPRX4 1728/4885HPGD 411/4885NPC1 4315/4885

“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.