SCHEMBL3437056

SCHEMBL3437056

COc1cc(/C=C/C=C/C=O)ccc1O

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.88
ALDH1A1 P00352 3/20 0.65
HPGD P15428 2/20 0.65
TDP1 Q9NUW8 2/20 0.65
TRIM24 O15164 1/20 0.65
ALDH5A1 P51649 1/20 0.65
ABAT P80404 1/20 0.65
TRIM33 Q9UPN9 1/20 0.65
TYR P14679 2/20 0.63
NFE2L2 Q16236 3/20 0.62
CYP2D6 P10635 3/20 0.62
ALOX5 P09917 3/20 0.62
CYP1A2 P05177 2/20 0.62
NFKB1 P19838 2/20 0.62
HSD11B1 P28845 2/20 0.62
STAT3 P40763 2/20 0.62
NFKB2 Q00653 2/20 0.62
RELA Q04206 2/20 0.62
TTR P02766 1/20 0.61
MAOA P21397 4/20 0.60

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
Coniferyl Aldehyde SCHEMBL167835 0.93 XDH (1.00) XDHALDH1A1HPGDTDP1TRIM24
Coniferyl Aldehyde SCHEMBL198485 0.93 XDH (1.00) XDHALDH1A1HPGDTDP1TRIM24
Coniferyl Aldehyde SCHEMBL29404938 0.93 XDH (1.00) XDHALDH1A1HPGDTDP1TRIM24
Coniferyl Aldehyde SCHEMBL13144559 0.93 XDH (1.00) XDHALDH1A1HPGDTDP1TRIM24
Coniferyl Aldehyde SCHEMBL30365777 0.93 XDH (1.00) XDHALDH1A1HPGDTDP1TRIM24
SCHEMBL21798699 0.92 XDH (0.77) XDHALDH1A1HPGDTDP1TRIM24
SCHEMBL1426730 0.85 XDH (0.63) XDHALDH1A1HPGDNFE2L2CYP1A2
SCHEMBL4268088 0.85 XDH (0.73) XDHALDH1A1HPGDTDP1TRIM24
SCHEMBL1426731 0.85 XDH (0.63) XDHALDH1A1HPGDNFE2L2CYP1A2
SCHEMBL4268082 0.85 XDH (0.73) XDHALDH1A1HPGDTDP1TRIM24

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331549-A1 Novel compounds useful for modulating abnormal cell proliferation ROIFMAN CHAIM 2010-12-30 US disclosed
US-20100331549-A1 Novel compounds useful for modulating abnormal cell proliferation ROIFMAN CHAIM 2010-12-30 US disclosed
US-20100331549-A1 Novel compounds useful for modulating abnormal cell proliferation ROIFMAN CHAIM 2010-12-30 US disclosed
US-7807719-B2 Compounds useful for modulating abnormal cell proliferation Roifman, Chaim (CA) 2010-10-05 US disclosed
US-7807719-B2 Compounds useful for modulating abnormal cell proliferation Roifman, Chaim (CA) 2010-10-05 US disclosed
US-7807719-B2 Compounds useful for modulating abnormal cell proliferation Roifman, Chaim (CA) 2010-10-05 US disclosed
EP-1797064-A4 NOVEL COMPOUNDS USEFUL FOR MODULATING ABNORMAL CELL PROLIFERATION HOSPITAL FOR SICK CHILDREN (CA) 2009-06-24 EP disclosed
EP-1797064-A1 NOVEL COMPOUNDS USEFUL FOR MODULATING ABNORMAL CELL PROLIFERATION THE HOSPITAL FOR SICK CHILDREN (CA) 2007-06-20 EP disclosed
WO-2006029515-A1 NOVEL COMPOUNDS USEFUL FOR MODULATING ABNORMAL CELL PROLIFERATION THE HOSPITAL FOR SICK CHILDREN (CA) 2006-03-23 WO disclosed
US-20060058297-A1 4-Chloro-2-cyano-5-phenyl-penta-2E,4Z-dienoic acid 3,4-dihydroxybenzylamide, used as antiproliferative agents THE HOSPITAL FOR SICK CHILDREN 2006-03-16 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 (2 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-20060058297-A1 4-Chloro-2-cyano-5-phenyl-penta-2E,4Z-dienoic acid 3,4-dihydroxybenzylamide, used as antiproliferative agents MKI67, CCNA2, CDK4 XDH 3225/4885ALDH1A1 428/4885HPGD 697/4885
US-20100331549-A1 Novel compounds useful for modulating abnormal cell proliferation MKI67, CALU, CDK4 XDH 3720/4885ALDH1A1 1908/4885HPGD 1437/4885

“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.