SCHEMBL5713093

SCHEMBL5713093

COc1cc(Cl)c(C(=O)O)c(C)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CLCN2 P51788 1/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA3 P07451 1/20 0.39
PKM P14618 1/20 0.39
CA5A P35218 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
CYP3A4 P08684 2/20 0.39

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
SCHEMBL4155491 0.87 CYP3A4 (0.47) ALDH1A1KDM4EHSD17B10CA12CA1
SCHEMBL22219654 0.86 CYP3A4 (0.51) ALDH1A1KDM4EHSD17B10CA12CA1
SCHEMBL2734231 0.84 KMT2A (0.48) ALDH1A1KDM4EHSD17B10CA12CA1
SCHEMBL31335830 0.84 KMT2A (0.48) ALDH1A1KDM4EHSD17B10CA12CA1
SCHEMBL31697045 0.83 CA12 (0.42) ALDH1A1KDM4EHSD17B10CA12CA1
SCHEMBL22208646 0.83 CA12 (0.42) ALDH1A1KDM4EHSD17B10CA12CA1
SCHEMBL1822694 0.80 CYP3A4 (0.47) ALDH1A1KDM4EHSD17B10CA12CA1
SCHEMBL4754854 0.79 CA12 (0.52) ALDH1A1KDM4EHSD17B10CA12CA1
SCHEMBL3927635 0.78 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10CA12CA1
SCHEMBL7959177 0.77 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10KMT2ACLCN2

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 297 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160073633-A1 CROP ENHANCEMENT SYNGENTA PARTICIPATIONS AG (CH) 2016-03-17 US disclosed
EP-2991489-A1 CROP ENHANCEMENT Syngenta Participations AG (CH) 2016-03-09 EP disclosed
WO-2014177475-A1 CROP ENHANCEMENT SYNGENTA PARTICIPATIONS AG (CH) 2014-11-06 WO disclosed
EP-1191844-A4 NOVEL ACRYLATE-TYPE FUNGICIDE DONGBU HANNONG CHEMICAL CO LTD (KR) 2006-03-22 EP disclosed
US-6777412-B2 PYRIMIDIN-4-YLOXY)PHENYL)-3-METHOXYPROPENOATE DERIVATIVES SYNGENTA LIMITED (GB) 2004-08-17 US disclosed
US-20040092746-A1 Pyrimidinyloxyphenyl-3-alkoxypropenoate derivatives as pesticides CLOUGH JOHN MARTIN (GB) 2004-05-13 US disclosed
US-6653258-B1 Pyridinyl-substituted- methyl 3-methoxy-2-phenylacrylate derivatives; agricultural miticides and nematocides SYNGENTA LIMITED (GB) 2003-11-25 US disclosed
US-6613773-B2 Pyrimidinyloxyphenyl-3-alkoxypropenoates derivatives SYNGENTA LIMITED (GB) 2003-09-02 US disclosed
US-6566547-B1 3-alkoxy-2-phenylacrylic acid derivatives ZENECA LIMITED (GB) 2003-05-20 US disclosed
EP-0178826-B2 Fungicides SYNGENTA LTD (GB) 2003-04-09 EP disclosed
EP-0089100-A2 Azolyl derivatives as fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-09-21 EP disclosed
EP-0086917-A1 Heterocyclic compounds useful as pesticides and processes for making them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-08-31 EP disclosed
EP-0086304-A1 Heterocyclic compounds useful as pesticides and processes for making them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-08-24 EP disclosed
EP-0078594-A1 Triazole derivatives, processes for preparing them, compositions containing them and processes for combating fungi and regulating plant growth IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-05-11 EP disclosed
EP-0076030-A2 Substituted amide derivatives, processes for preparing them, pesticidal compositions containing them and processes for combating unwanted vegetation and fungi IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-04-06 EP disclosed
EP-0067511-A2 Method of inducing tillering using pyridine derivatives, and some of the pyridines themselves, process for preparing them and agricultural compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-12-22 EP disclosed
EP-0061840-A2 Triazole compounds, a process for preparing them, their use as plant fungicides and fungicidal compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-10-06 EP disclosed
EP-0061835-A1 Triazole compounds, a process for preparing them, their use as plant fungicides and fungicidal compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-10-06 EP disclosed
EP-0052424-A2 Triazole compounds, a process for preparing them, their use as plant fungicides and fungicidal compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-05-26 EP disclosed
EP-0052425-A2 Triazole and imidazole compounds, a process for preparing them, their use as plant fungicides and fungicidal compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-05-26 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-20040092746-A1 Pyrimidinyloxyphenyl-3-alkoxypropenoate derivatives as pesticides DDT, SQOR, TH ALDH1A1 482/4885KDM4E 418/4885HSD17B10 2009/4885

“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.