SCHEMBL7550109

SCHEMBL7550109

C[CH]C(=O)OCC(Cl)(Cl)Cl

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL9397635 0.82 GSTP1 (0.37) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL9397645 0.82 GSTP1 (0.37) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL697706 0.78 ALDH1A1 (0.35) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL11635100 0.78 ALDH1A1 (0.35) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL4678781 0.76 HTT (0.48) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL766774 0.76 ALDH1A1 (0.59) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
Water SCHEMBL11515736 0.76 ALDH1A1 (0.34) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL4389205 0.73 CHRM2 (0.36) CHRM2CHRM4CHRM1CHRM3
SCHEMBL6789258 0.73 THRB (0.34) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL732714 0.72

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-6475955-B2 HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-11-05 US disclosed
US-20020026048-A1 Pyridazinone derivatives SUMITOMO CHEMICAL CO. LTD. 2002-02-28 US disclosed
US-6187920-B1 HERBICIDES SUMITOMO CHEMICAL CO., LTD. (JP) 2001-02-13 US disclosed
WO-2000021936-A1 URACIL HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-04-20 WO disclosed
EP-0947509-A2 Pyridazinone derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-10-06 EP 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-20020026048-A1 Pyridazinone derivatives PDXK, DDT, CBR3 ALDH1A1 105/4885TP53 4533/4885CYP3A4 31/4885

“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.