SCHEMBL929915

SCHEMBL929915

COc1cc(C=O)cc(Cc2cc(C=O)cc(OC)c2O)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
TRIM24 O15164 1/20 0.51
HPGD P15428 1/20 0.51
ALDH5A1 P51649 1/20 0.51
ABAT P80404 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TRIM33 Q9UPN9 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ALOX5 P09917 4/20 0.48
PTGES O14684 1/20 0.48
NFKB1 P19838 1/20 0.48
STAT3 P40763 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
ERN1 O75460 4/20 0.47
AOX1 Q06278 1/20 0.47
TSHR P16473 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 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
SCHEMBL8942444 0.89 ALOX5 (0.56) ALDH1A1TRIM24HPGDALDH5A1ABAT
SCHEMBL8155224 0.88 ALDH1A1 (0.50) ALDH1A1TRIM24HPGDALDH5A1ABAT
SCHEMBL1134607 0.86 KDM4E (0.49) ALDH1A1TRIM24HPGDALDH5A1ABAT
SCHEMBL5663406 0.85 ALOX5 (0.56) ALDH1A1TRIM24HPGDALDH5A1ABAT
Syringaldehyde SCHEMBL2110596 0.85 ALDH1A1 (0.62) ALDH1A1TRIM24HPGDALDH5A1ABAT
Syringaldehyde SCHEMBL30119623 0.85 ALDH1A1 (0.62) ALDH1A1TRIM24HPGDALDH5A1ABAT
Syringaldehyde SCHEMBL150376 0.85 ALDH1A1 (0.62) ALDH1A1TRIM24HPGDALDH5A1ABAT
SCHEMBL14842663 0.84 ALDH1A1 (0.59) ALDH1A1TRIM24HPGDALDH5A1ABAT
SCHEMBL13566621 0.83 EGFR (0.47) ALDH1A1TRIM24HPGDALDH5A1ABAT
SCHEMBL1001391 0.83 KDM4E (0.74) ALDH1A1TRIM24HPGDALDH5A1ABAT

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 2 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 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 1480/4885TRIM24 3443/4885HPGD 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.