SCHEMBL929989

SCHEMBL929989

COC(=O)c1ccccc1Oc1ccc(Cc2ccc(Oc3ccccc3C(=O)OC)c(C=O)c2)cc1C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MAPT P10636 5/20 0.48
HPGD P15428 3/20 0.48
HSP90AA1 P07900 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KDM4E B2RXH2 4/20 0.46
GAA P10253 2/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 5/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 4/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 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
SCHEMBL13574617 0.83 SLC6A3 (0.55) ALDH1A1MAPTHPGDHSP90AA1SMN1; SMN2
SCHEMBL931499 0.78 ERN1 (0.46) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL13715311 0.77 MAPT (0.55) ALDH1A1MAPTHPGDCYP1A2CYP2C9
SCHEMBL2441955 0.77 SLC6A3 (0.65) ALDH1A1MAPTSMN1; SMN2KDM4EGAA
SCHEMBL931626 0.76 MRGPRX4 (0.41) ALDH1A1MAPTHPGDHSP90AA1SMN1; SMN2
SCHEMBL8121782 0.75 CA1 (0.49) ALDH1A1MAPTHPGDHSP90AA1SMN1; SMN2
SCHEMBL10024697 0.74 ALDH1A1 (0.55) ALDH1A1MAPTHPGDCYP1A2CYP2C9
SCHEMBL13813927 0.74 SLC6A3 (0.72) ALDH1A1MAPTHPGDSMN1; SMN2CYP1A2
SCHEMBL7146149 0.74 ALDH1A1 (0.73) ALDH1A1MAPTHPGDHSP90AA1SMN1; SMN2
SCHEMBL930595 0.73 MAPT (0.55) ALDH1A1MAPTHPGDSMN1; SMN2CYP1A2

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 ALDH1A1 1480/4885MAPT 3944/4885HPGD 411/4885

“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.