SCHEMBL6899249

SCHEMBL6899249

C=CCOC(=O)C(C(=O)OCC=C)c1ccc(Cl)c2cccnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.45
ALOX12 P18054 2/20 0.45
CYP3A4 P08684 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PKM P14618 1/20 0.44
MAPT P10636 3/20 0.43
HSP90AA1 P07900 2/20 0.43
BRD4 O60885 1/20 0.43
LMNA P02545 1/20 0.43
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HIF1A Q16665 1/20 0.41
L3MBTL1 Q9Y468 4/20 0.40
CCR6 P51684 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 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
SCHEMBL6903273 0.84 KDM4E (0.51) KDM4EALOX12CYP3A4TDP1PKM
SCHEMBL167829 0.81 KDM4E (0.52) KDM4EALOX12CYP3A4TDP1PKM
SCHEMBL6904223 0.81 KDM4E (0.51) KDM4EALOX12CYP3A4TDP1PKM
SCHEMBL27725872 0.78 KDM4E (0.39) KDM4EALOX12CYP3A4TDP1PKM
SCHEMBL27651322 0.77 KDM4E (0.38) KDM4EALOX12CYP3A4TDP1PKM
SCHEMBL1838784 0.77 KDM4E (0.54) KDM4EALOX12CYP3A4TDP1PKM
SCHEMBL30158490 0.77 PKM (0.60) KDM4EALOX12CYP3A4TDP1PKM
SCHEMBL4902562 0.77 PKM (0.60) KDM4EALOX12CYP3A4TDP1PKM
SCHEMBL22129254 0.76 KDM4E (0.47) KDM4EALOX12CYP3A4TDP1PKM
SCHEMBL9065818 0.75 PKM (0.58) KDM4EALOX12CYP3A4TDP1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6743754-B2 A SULFONYLUREA AND ONE OR MORE SURFACTANTS COMPRISING AS STRUCTURAL ELEMENT AT LEAST 10 ALKYLENE OXIDE UNITS. AVENTIS CROPSCIENCE GMBH (DE) 2004-06-01 US disclosed
US-6693063-B2 HALOGENATED HYDROXYBENZONITRILE DERIVATIVE WITH SPECIFIC SURFACTANTS AVENTIS CROPSCIENCE GMBH (DE) 2004-02-17 US disclosed
US-6569805-B1 Synergistic mixture of certain phenylsulfonylureas and/or their salts and vegetable oils for controlling weeds in crops AVENTIS CROPSCIENCE GMBH (DE) 2003-05-27 US disclosed
US-20020115569-A1 Herbicidal composition AVENTIS CROPSCIENCE GMBH (DE) 2002-08-22 US disclosed
US-20020091066-A1 Herbicidal compositions BAYER CROPSCIENCE GMBH (DE) 2002-07-11 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-20020091066-A1 Herbicidal compositions CBR1, CBR3, GLRA1 KDM4E 3026/4885ALOX12 1217/4885CYP3A4 1060/4885
US-20020115569-A1 Herbicidal composition CBR1, DDT, CYP1A1 KDM4E 3552/4885ALOX12 1010/4885CYP3A4 775/4885

“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.