SCHEMBL3437049

SCHEMBL3437049

O=C/C=C/c1cc(O)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
MAPT P10636 4/20 0.59
KDM4E B2RXH2 3/20 0.59
GAA P10253 3/20 0.59
EGFR P00533 1/20 0.59
POLB P06746 1/20 0.59
PKM P14618 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CDK4 P11802 2/20 0.59
CCND1 P24385 2/20 0.59
XDH P47989 2/20 0.52
MEN1 O00255 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL3437050 1.00 ALDH1A1 (0.59) ALDH1A1MAPTKDM4EGAAEGFR
SCHEMBL5708463 0.83 CDK4 (0.59) ALDH1A1MAPTKDM4ECDK4CCND1
SCHEMBL5708464 0.83 CDK4 (0.59) ALDH1A1MAPTKDM4ECDK4CCND1
SCHEMBL32679861 0.83 CDK4 (0.59) ALDH1A1MAPTKDM4ECDK4CCND1
SCHEMBL8746740 0.82 KDM4E (0.50) ALDH1A1MAPTKDM4EGAAEGFR
SCHEMBL14218253 0.80 XDH (0.58) ALDH1A1MAPTKDM4EGAAEGFR
SCHEMBL2553746 0.80 ERN1 (0.66) ALDH1A1MAPTGAACDK4CCND1
SCHEMBL2561644 0.80 ERN1 (0.66) MAPTKDM4EGAAPOLBCDK4
SCHEMBL2561641 0.80 ERN1 (0.66) MAPTKDM4EGAAPOLBCDK4
SCHEMBL2553748 0.80 ERN1 (0.66) ALDH1A1MAPTGAACDK4CCND1

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 6 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-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 ALDH1A1 428/4885MAPT 4694/4885KDM4E 279/4885
US-20100331549-A1 Novel compounds useful for modulating abnormal cell proliferation MKI67, CALU, CDK4 ALDH1A1 1908/4885MAPT 2662/4885KDM4E 3729/4885

“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.