SCHEMBL930805

SCHEMBL930805

COc1cc(CCc2cc(CO)c(O)c(OC)c2)cc(CO)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 2/20 0.56
AKR1B1 P15121 1/20 0.54
ALOX5 P09917 6/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
PTPN1 P18031 2/20 0.46
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45

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
SCHEMBL15221748 0.91 TNKS2 (0.51) TNKS2AKR1B1ALOX5NFKB1NFKB2
SCHEMBL829369 0.90 KDM4E (0.52) TNKS2AKR1B1ALOX5NFKB1NFKB2
SCHEMBL26234590 0.90 TNKS2 (0.73) TNKS2AKR1B1ALOX5NFKB1NFKB2
SCHEMBL211114 0.89 SHBG (0.58) TNKS2AKR1B1ALOX5NFKB1NFKB2
SCHEMBL15394651 0.88 TNKS2 (0.57) TNKS2AKR1B1ALOX5NFKB1NFKB2
SCHEMBL14606346 0.87 SHBG (0.56) TNKS2AKR1B1PDE4APDE4BPDE4C
SCHEMBL10130847 0.87 PTGS2 (0.52) TNKS2AKR1B1ALOX5NFKB1NFKB2
SCHEMBL16692017 0.85 TNKS2 (0.46) TNKS2AKR1B1ALOX5NFKB1NFKB2
SCHEMBL17306533 0.85 ALOX5 (0.55) TNKS2AKR1B1ALOX5NFKB1NFKB2
SCHEMBL16372690 0.83 AKR1B1 (0.71) TNKS2AKR1B1ALOX5PTPN1TUBB4A

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 TNKS2 266/4885AKR1B1 1596/4885ALOX5 218/4885

“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.