SCHEMBL4154607

SCHEMBL4154607

Cc1cc(Cl)ccc1OCC(=O)OCC(O)CO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.58
ESR1 P03372 1/20 0.58
POLB P06746 1/20 0.58
ESR2 Q92731 1/20 0.58
CTDSP1 Q9GZU7 1/20 0.58
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
HIF1A Q16665 1/20 0.57
MAPT P10636 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 3/20 0.52
MAPK1 P28482 2/20 0.52
NPC1 O15118 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
AR P10275 2/20 0.49

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
SCHEMBL4146365 0.87 ALDH1A1 (0.60) TDP1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL4883831 0.85 TDP1 (0.62) TDP1ESR1POLBESR2CTDSP1
SCHEMBL29435277 0.85 TDP1 (0.62) TDP1ESR1POLBESR2CTDSP1
SCHEMBL11453609 0.83 KDM4E (0.61) POLBCYP1A2SMN1; SMN2LMNAAR
SCHEMBL5416139 0.82 CYP1A2 (0.68) TDP1ESR1POLBESR2CTDSP1
SCHEMBL28374482 0.80 TSHR (0.60) TDP1ESR1POLBESR2CTDSP1
SCHEMBL27761952 0.80 TSHR (0.60) TDP1ESR1POLBESR2CTDSP1
SCHEMBL4887579 0.78 CYP1A2 (0.69) TDP1ESR1POLBESR2CTDSP1
SCHEMBL27351928 0.78 CYP1A2 (0.69) TDP1ESR1POLBESR2CTDSP1
SCHEMBL11573956 0.77 CYP1A2 (0.61) TDP1ESR1POLBESR2CTDSP1

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
EP-2001830-A1 GLYCERIDE ESTER DERIVATIVES OF HERBICIDAL COMPOUNDS AND COMPOSITIONS THEREOF NUFARM AUSTRALIA LIMITED (AU) 2008-12-17 EP claimed
WO-2007112505-A1 GLYCERIDE ESTER DERIVATIVES OF HERBICIDAL COMPOUNDS AND COMPOSITIONS THEREOF NUFARM AUSTRALIA LIMITED (AU) 2007-10-11 WO claimed
US-20090247407-A1 Glyceride Ester Derivatives of Herbicidal Compounds and Compositions Thereof NUFARM AUSTRALIA LIMITED (AU) 2009-10-01 US disclosed
EP-2001830-A1 GLYCERIDE ESTER DERIVATIVES OF HERBICIDAL COMPOUNDS AND COMPOSITIONS THEREOF NUFARM AUSTRALIA LIMITED (AU) 2008-12-17 EP disclosed
WO-2007112505-A1 GLYCERIDE ESTER DERIVATIVES OF HERBICIDAL COMPOUNDS AND COMPOSITIONS THEREOF NUFARM AUSTRALIA LIMITED (AU) 2007-10-11 WO 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-20090247407-A1 Glyceride Ester Derivatives of Herbicidal Compounds and Compositions Thereof PYM1, GRM4, GPR4 TDP1 3895/4885ESR1 2395/4885POLB 2950/4885

“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.