SCHEMBL6838601

SCHEMBL6838601

Cc1cc(Br)cc(C)c1C(=C=O)C(=O)Cl

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 2/20 0.31
DHODH Q02127 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
KMT2A Q03164 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 1/20 0.30

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
SCHEMBL7811949 0.86 TAS1R3 (0.35) ALDH1A1MAPK1SMN1; SMN2POLBKDM4E
SCHEMBL3256843 0.83 ALDH1A1 (0.31) ALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL3676493 0.80 SMN1; SMN2 (0.33) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6838898 0.80 HTT (0.38) ALDH1A1MAPK1SMN1; SMN2POLBKDM4E
SCHEMBL5772246 0.78 NPC1 (0.32) ALDH1A1SMN1; SMN2
SCHEMBL2461457 0.78 SMURF2 (0.31) TAS1R3TAS1R1TAS1R2
SCHEMBL25305035 0.77 ALDH1A1 (0.36) ALDH1A1MAPK1SMN1; SMN2POLBDHODH
SCHEMBL7479979 0.77 HTT (0.34) ALDH1A1POLBKMT2A
SCHEMBL6308979 0.77 KMT2A (0.38) ALDH1A1MAPK1SMN1; SMN2POLBKDM4E
SCHEMBL15450055 0.76 HPGD (0.38) ALDH1A1SMN1; 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 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 ALDH1A1 566/4885MAPK1 1887/4885SMN1; SMN2 4665/4885
US-20020022575-A1 Dialkyl-halogenophenyl-substituted ketoenols DDT, CYP2E1, CYP8B1 ALDH1A1 549/4885MAPK1 1571/4885SMN1; SMN2 4638/4885

“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.