SCHEMBL18214500

SCHEMBL18214500

O=C(COc1ccc(Cl)cc1Cl)OCCN(CCO)CCO

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
ALDH1A1 P00352 2/20 0.63
MAPT P10636 4/20 0.56
MAPK1 P28482 2/20 0.53
HPGD P15428 2/20 0.53
PKM P14618 1/20 0.51
HTT P42858 1/20 0.49
TSHR P16473 2/20 0.49
GAA P10253 1/20 0.48
ALOX12 P18054 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
THRB P10828 1/20 0.47

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
SCHEMBL18214502 1.00 TDP1 (0.63) TDP1L3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL25394721 0.87 TDP1 (0.70) TDP1L3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL27554366 0.86 TDP1 (0.72) TDP1L3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL27374547 0.85 TDP1 (0.78) TDP1L3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL25393935 0.84 TDP1 (0.70) TDP1L3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL25391970 0.84 TDP1 (0.70) TDP1L3MBTL1ALDH1A1MAPTMAPK1
2,4-Dichlorophenoxyacetic Acid SCHEMBL10595297 0.84 TDP1 (0.77) TDP1MAPTHPGDHTTTSHR
2,4-Dichlorophenoxyacetic Acid SCHEMBL1829353 0.84 TDP1 (0.77) TDP1MAPTHPGDHTTTSHR
SCHEMBL27374551 0.82 TDP1 (0.84) TDP1L3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL27374549 0.82 TDP1 (0.84) TDP1L3MBTL1ALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180139955-A1 EMULSIFIABLE CONCENTRATE COMPRISING A PHENOXY-ALKANOIC ACID HERBICIDE NUFARM AUSTRALIA LIMITED (AU) 2018-05-24 US disclosed
US-20180139955-A1 EMULSIFIABLE CONCENTRATE COMPRISING A PHENOXY-ALKANOIC ACID HERBICIDE NUFARM AUSTRALIA LIMITED (AU) 2018-05-24 US disclosed
WO-2016176742-A1 EMULSIFIABLE CONCENTRATE COMPRISING A PHENOXY-ALKANOIC ACID HERBICIDE NUFARM AUSTRALIA LIMITED (AU) 2016-11-10 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-20180139955-A1 EMULSIFIABLE CONCENTRATE COMPRISING A PHENOXY-ALKANOIC ACID HERBICIDE ALK, DDT, IDUA TDP1 2303/4885L3MBTL1 4084/4885ALDH1A1 318/4885

“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.