SCHEMBL587255

SCHEMBL587255

COC(=O)c1ccc(Cl)c(OCCBr)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.38
HPD P32754 2/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
PTGS2 P35354 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGER4 P35408 1/20 0.36

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
SCHEMBL6304243 0.87 PTGER4 (0.39) ABL1HPDALDH1A1TSHRPTGS2
SCHEMBL17689718 0.79 ABL1 (0.44) ABL1ALDH1A1TSHRPTGS2KDM4E
SCHEMBL587118 0.76 CYP4F2 (0.51) CYP4F2CYP4A11ALDH1A1TSHRMEN1
SCHEMBL24744904 0.76 ATR (0.41) ABL1HPDALDH1A1TSHRPTGS2
SCHEMBL30121806 0.76 ATR (0.41) ABL1HPDALDH1A1TSHRPTGS2
SCHEMBL587100 0.76 TP53 (0.44) ALDH1A1TSHRKDM4EGAAMAPT
SCHEMBL4830826 0.75 ALDH1A1 (0.46) ABL1ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL10610948 0.74 ABL1 (0.49) ABL1ALDH1A1TSHRPTGS2KDM4E
SCHEMBL31636602 0.73 ABL1 (0.45) ABL1ALDH1A1TSHRPTGS2PDE3B
SCHEMBL24893882 0.73 GAA (0.38) ABL1ALDH1A1TSHRPDE3BPDE3A

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 ABL1 139/4885HPD 384/4885CYP4F2 659/4885

“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.