SCHEMBL587498

SCHEMBL587498

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
TSHR P16473 1/20 0.42
METTL3 Q86U44 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
BAZ2B Q9UIF8 1/20 0.39
BAZ2A Q9UIF9 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
IKBKB O14920 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 2/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 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
SCHEMBL588042 0.87 CYP4F2 (0.46) CYP4F2CYP4A11TSHRMETTL3CA12
SCHEMBL8417857 0.86 CYP4F2 (0.45) CYP4F2CYP4A11TSHRMETTL3CA12
SCHEMBL587118 0.86 CYP4F2 (0.51) CYP4F2CYP4A11TSHRMETTL3CA12
SCHEMBL3437219 0.86 CYP4F2 (0.45) CYP4F2CYP4A11TSHRMETTL3CA12
SCHEMBL588132 0.85 CYP4F2 (0.50) CYP4F2CYP4A11TSHRMETTL3CA12
SCHEMBL3437148 0.80 IKBKB (0.41) CYP4F2CYP4A11TSHRMETTL3CA12
SCHEMBL6608504 0.79 KMT2A (0.41) CYP4F2CYP4A11KMT2AMEN1ALDH1A1
SCHEMBL587378 0.77 GAA (0.45) CYP4F2CYP4A11BAZ2BBAZ2AKMT2A
SCHEMBL3437089 0.77 CA12 (0.43) CYP4F2CYP4A11METTL3CA12CA1
SCHEMBL27259744 0.77 CYP4F2 (0.55) CYP4F2CYP4A11TSHRMETTL3CA12

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-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
WO-2008043456-A1 BENZOYLPYRAZOLES, THEIR USE AS AS HERBICIDES, AND INTERMEDIATES BAYER CROPSCIENCE AG (DE) 2008-04-17 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-20100094023-A1 BENZOYLPYRAZOLES AND HERBICIDE ATL3, AHR, HACL2 CYP4F2 659/4885CYP4A11 1834/4885TSHR 735/4885

“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.