SCHEMBL4239740

SCHEMBL4239740

COC(=O)c1ccc(Cl)c(CN=C=O)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.39
ABL1 P00519 1/20 0.38
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
POLB P06746 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 3/20 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
LMNA P02545 4/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
CA12 O43570 1/20 0.34

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
SCHEMBL13930302 0.87 ABL1 (0.37) PTGS2ABL1TSHRALDH1A1PDE3B
SCHEMBL9079083 0.77 ABL1 (0.42) PTGS2ABL1TSHRALDH1A1PDE3B
SCHEMBL3436908 0.77 ABL1 (0.42) PTGS2ABL1TSHRALDH1A1PDE3B
SCHEMBL18299405 0.77 ALDH1A1 (0.40) PTGS2ABL1TSHRALDH1A1PDE3B
SCHEMBL17681680 0.76 AKR1B1 (0.49) PTGS2ABL1TSHRALDH1A1PDE3B
SCHEMBL18298886 0.76 ABL1 (0.41) PTGS2ABL1TSHRALDH1A1PDE3B
SCHEMBL8307454 0.76 ABL1 (0.41) PTGS2ABL1TSHRALDH1A1PDE3B
SCHEMBL3437074 0.75 TSHR (0.40) PTGS2ABL1TSHRALDH1A1PDE3B
SCHEMBL8145311 0.75 ABL1 (0.41) PTGS2ABL1TSHRALDH1A1PDE3B
SCHEMBL3193263 0.75 ABL1 (0.41) PTGS2ABL1TSHRALDH1A1SMN1; SMN2

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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 PTGS2 1988/4885ABL1 893/4885TSHR 1785/4885
US-20040176253-A1 Substitued arylketones CYP1B1, CYP1A1, CYP2E1 PTGS2 3744/4885ABL1 132/4885TSHR 1625/4885
US-20090042730-A1 Substituted Arylketones CYP1A1, CYP1B1, CYP1A2 PTGS2 3299/4885ABL1 152/4885TSHR 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.