SCHEMBL588042

SCHEMBL588042

CCOC(=O)c1ccc(Cl)c(OCCCl)c1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
TSHR P16473 1/20 0.44
METTL3 Q86U44 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
ALDH1A1 P00352 3/20 0.40
BAZ2B Q9UIF8 1/20 0.40
BAZ2A Q9UIF9 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
HSD17B10 Q99714 1/20 0.39
IKBKB O14920 1/20 0.39
LMNA P02545 2/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL587498 0.87 CYP4F2 (0.45) CYP4F2CYP4A11TSHRMETTL3CA12
SCHEMBL8417857 0.87 CYP4F2 (0.45) CYP4F2CYP4A11TSHRMETTL3CA12
SCHEMBL3437219 0.87 CYP4F2 (0.45) CYP4F2CYP4A11TSHRMETTL3CA12
SCHEMBL587118 0.87 CYP4F2 (0.51) CYP4F2CYP4A11TSHRMETTL3CA12
SCHEMBL588132 0.86 CYP4F2 (0.50) CYP4F2CYP4A11TSHRMETTL3CA12
SCHEMBL8309085 0.84 CYP4F2 (0.42) CYP4F2CYP4A11TSHRMETTL3CA12
SCHEMBL3437148 0.81 IKBKB (0.41) CYP4F2CYP4A11TSHRMETTL3CA12
SCHEMBL4250810 0.80 TSHR (0.42) TSHRALDH1A1KMT2AMEN1HSD17B10
SCHEMBL4242774 0.80 KMT2A (0.35) ALDH1A1KMT2AMEN1HSD17B10MAPK1
SCHEMBL6608504 0.80 KMT2A (0.41) CYP4F2CYP4A11ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081925-B1 Benzoylpyrazoles, their use as herbicides, and intermediates BAYER CROPSCIENCE AG (DE) 2012-02-15 EP disclosed
US-8084398-B2 Benzoylpyrazoles and herbicide BAYER CROPSCIENCE AG (DE) 2011-12-27 US disclosed
US-20100094023-A1 BENZOYLPYRAZOLES AND HERBICIDE BAYER CROPSCIENCE AG (DE) 2010-04-15 US disclosed
EP-2081925-A1 BENZOYLPYRAZOLES, THEIR USE AS AS HERBICIDES, AND INTERMEDIATES Bayer CropScience AG (DE) 2009-07-29 EP disclosed
US-20090042730-A1 Substituted Arylketones HERRMANN STEFAN 2009-02-12 US disclosed
US-20090042730-A1 Substituted Arylketones HERRMANN STEFAN 2009-02-12 US disclosed
US-20090042730-A1 Substituted Arylketones HERRMANN STEFAN 2009-02-12 US disclosed
US-7456133-B2 Substituted arylketones BAYER CROPSCIENCE AG (DE) 2008-11-25 US disclosed
US-7456133-B2 Substituted arylketones BAYER CROPSCIENCE AG (DE) 2008-11-25 US disclosed
US-7456133-B2 Substituted arylketones BAYER CROPSCIENCE AG (DE) 2008-11-25 US disclosed
WO-2008043456-A1 BENZOYLPYRAZOLES, THEIR USE AS AS HERBICIDES, AND INTERMEDIATES BAYER CROPSCIENCE AG (DE) 2008-04-17 WO disclosed
US-20060252647-A1 Herbicides; broad active spectrum; on soil and above ground plant parts use HERRMANN STEFAN 2006-11-09 US disclosed
US-7112554-B2 Substituted arylketones BAYER CROPSCIENCE AG (DE) 2006-09-26 US disclosed
US-20040176253-A1 Substitued arylketones BAYER CROPSCIENCE AG (DE) 2004-09-09 US disclosed
EP-0918056-A1 Herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1999-05-26 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 (4 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-20060252647-A1 Herbicides; broad active spectrum; on soil and above ground plant parts use CYP1A1, CYP1A2, CYP4X1 CYP4F2 80/4885CYP4A11 188/4885TSHR 1785/4885
US-20040176253-A1 Substitued arylketones CYP1B1, CYP1A1, CYP2E1 CYP4F2 76/4885CYP4A11 373/4885TSHR 1625/4885
US-20100094023-A1 BENZOYLPYRAZOLES AND HERBICIDE ATL3, AHR, HACL2 CYP4F2 659/4885CYP4A11 1834/4885TSHR 735/4885
US-20090042730-A1 Substituted Arylketones CYP1A1, CYP1B1, CYP1A2 CYP4F2 70/4885CYP4A11 190/4885TSHR 1054/4885

“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.