SCHEMBL6841192

SCHEMBL6841192

COC(=O)C(C(=O)OC)c1c(C)cc(C)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MCL1 Q07820 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 2/20 0.33
MT-CO2 P00403 1/20 0.33
NLRP3 Q96P20 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL1537457 0.91 XDH (0.41) XDHSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8794058 0.87 TAS1R3 (0.39) SMN1; SMN2ALDH1A1KMT2ATAS1R3TAS1R1
SCHEMBL6834732 0.81 HTT (0.42) ALDH1A1MEN1KMT2ATAS1R3TAS1R1
SCHEMBL6839567 0.80 ALDH1A1 (0.37) XDHSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6841189 0.80 MAPT (0.39) ALDH1A1MEN1KMT2ATAS1R3TAS1R1
SCHEMBL15757000 0.79 TAS1R3 (0.36) SMN1; SMN2ALDH1A1TAS1R3TAS1R1KDM4E
SCHEMBL8795536 0.74 NLRP3 (0.44) SMN1; SMN2ALDH1A1MEN1KMT2ATDP1
SCHEMBL7486568 0.74 MAPK1 (0.43) SMN1; SMN2ALDH1A1MEN1KMT2ATAS1R3
SCHEMBL3163620 0.73 TAS1R3 (0.34) SMN1; SMN2ALDH1A1MEN1KMT2ATAS1R3
SCHEMBL16207545 0.72 SMN1; SMN2 (0.40) XDHSMN1; SMN2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6759548-B2 PESTICIDES AND HERBICIDES. PHENYL-SUBSTITUTED CYCLIC KETOENOLS, A PLURALITY OF PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION BAYER AKTIENGESELLSCHAFT (DE) 2004-07-06 US disclosed
US-20030144504-A1 Pesticides and herbicides. phenyl-substituted cyclic ketoenols, a plurality of processes and intermediates for their preparation FISCHER REINER (DE) 2003-07-31 US disclosed
EP-0835243-B1 DIALKYL PHENYL HALIDE-SUBSTITUTED KETO-ENOLS FOR USE AS HERBICIDES AND PESTICIDES BAYER CROPSCIENCE AG (DE) 2003-01-29 EP disclosed
US-6469196-B2 PESTICIDES AND WEEDKILLERS BAYER AKTIENGESELLSCHAFT (DE) 2002-10-22 US disclosed
US-20020022575-A1 Dialkyl-halogenophenyl-substituted ketoenols FISCHER REINER (DE) 2002-02-21 US disclosed
US-6251830-B1 PESTICIDES AND HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-06-26 US disclosed
US-5994274-A Dialkyl phenyl halide-substituted keto-enols for use as herbicides and pesticides BAYER AKTIENGESELLSCHAFT (DE) 1999-11-30 US disclosed
EP-0835243-A1 DIALKYL PHENYL HALIDE-SUBSTITUTED KETO-ENOLS FOR USE AS HERBICIDES AND PESTICIDES BAYER AG (DE) 1998-04-15 EP disclosed
WO-1997002243-A1 DIALKYL PHENYL HALIDE-SUBSTITUTED KETO-ENOLS FOR USE AS HERBICIDES AND PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-01-23 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 (2 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-20030144504-A1 Pesticides and herbicides. phenyl-substituted cyclic ketoenols, a plurality of processes and intermediates for their preparation DDT, CYP8B1, CYP1A1 XDH 607/4885SMN1; SMN2 4665/4885ALDH1A1 566/4885
US-20020022575-A1 Dialkyl-halogenophenyl-substituted ketoenols DDT, CYP2E1, CYP8B1 XDH 323/4885SMN1; SMN2 4638/4885ALDH1A1 549/4885

“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.