SCHEMBL166151

SCHEMBL166151

COC(=O)COC(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
POLB P06746 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 2/20 0.49
ADRA1A P35348 3/20 0.47
HTR1A P08908 2/20 0.47
ADRA1D P25100 2/20 0.47
ADRA1B P35368 2/20 0.47
HTT P42858 2/20 0.45
SCN1A P35498 3/20 0.44
SCN2A Q99250 3/20 0.44
SCN3A Q9NY46 3/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
ADRA2A P08913 1/20 0.44

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
SCHEMBL10334693 0.93 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1POLBL3MBTL1
SCHEMBL10334563 0.91 KCNA5 (0.50) ALDH1A1KMT2AMEN1POLBL3MBTL1
SCHEMBL10334713 0.87 KCNA5 (0.51) L3MBTL1HTTLMNASLC6A2SLC6A4
SCHEMBL16672470 0.84 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1POLBL3MBTL1
SCHEMBL10335667 0.83 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1POLBL3MBTL1
SCHEMBL10334823 0.83 KCNA5 (0.51) ALDH1A1KMT2AMEN1POLBL3MBTL1
SCHEMBL9292639 0.83 IDO1 (0.53) ALDH1A1KMT2AMEN1POLBL3MBTL1
SCHEMBL10334583 0.83 CRHBP (0.51) ALDH1A1TSHRADRA1AHTR1AADRA1D
SCHEMBL9292609 0.82 TSHR (0.54) KMT2AMEN1TSHRADRA1AHTR1A
SCHEMBL9293047 0.82 PTGS2 (0.49) ALDH1A1KMT2AMEN1POLBL3MBTL1

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 1373 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099751-B1 BIPHENYL-SUBSTITUTED SPIROCYCLIC KETOENOLS BAYER IP GMBH (DE) 2018-05-30 EP claimed
US-20160000076-A1 Fungicidal Active Compound Combinations BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-01-07 US claimed
EP-2185563-B1 OXASPIROCYCLIC SPIRO-SUBSTITUTED TETRAMIC AND TETRONIC ACID DERIVATIVES BAYER IP GMBH (DE) 2015-08-19 EP claimed
EP-1943218-B1 ALKOXYALKYL SPIROCYCLIC TETRAMIC ACIDS AND TETRONIC ACIDS BAYER IP GMBH (DE) 2015-05-06 EP claimed
US-8993782-B2 Cis-alkoxyspirocyclic biphenyl-substituted tetramic acid derivatives BAYER CROPSCIENCE AG (DE) 2015-03-31 US claimed
EP-2195290-B1 HALOGEN ALKOXY SPIROCYCLIC TETRAMIC AND TETRONIC ACID DERIVATIVES BAYER IP GMBH (DE) 2015-03-11 EP claimed
EP-1771067-B1 SELECTIVE INSECTICIDES BASED ON SUBSTITUTED, CYCLIC KETO-ENOLS AND SAFENERS BAYER CROPSCIENCE AG (DE) 2014-03-12 EP claimed
US-8629084-B2 Iodine-phenyl-substituted cyclic cetoenols BAYER CROPSCIENCE AG (DE) 2014-01-14 US claimed
EP-1855529-B1 SPIROKETAL-SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2013-12-18 EP claimed
EP-1966135-B1 3'-ALKOXY-SPIROCYCLOPENTYL-SUBSTITUTED TETRAMIC AND TETRONIC ACIDS BAYER CROPSCIENCE AG (DE) 2013-10-09 EP claimed
US-20040132619-A1 Selective substituted aryl ketone and safener based herbicides BAYER CROPSCIENCE K.K. (JP) 2004-07-08 US claimed
EP-1130965-B1 COMBINATIONS OF HERBICIDES AND SAFENERS BAYER CROPSCIENCE GMBH (DE) 2003-10-29 EP claimed
US-20030171220-A1 Combinations of herbicides and safeners BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-09-11 US claimed
US-20030158039-A1 Herbicidal compositions comprising benzoylpyrazoles and safeners BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-08-21 US claimed
US-20030078167-A1 Herbicides comprising benzoylcyclohexanediones and safeners BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-04-24 US claimed
WO-2000026190-A1 CHIRAL AMINO ALCOHOL DERIVATIVES OF PYRIDINE, A METHOD FOR THE MANUFACTURE THEREOF AND THEIR USE AS CATALYSTS NESTE CHEMICALS OY (FI) 2000-05-11 WO claimed
WO-2000011954-A1 HERBICIDAL METHOD AVENTIS CROPSCIENCE S.A. (FR) 2000-03-09 WO claimed
US-5321000-A Benzhydryl compounds as herbicide antidotes MONSANTO COMPANY (US) 1994-06-14 US claimed
CN-1061322-A The safe of benzoic acid derivative class weed killer herbicide MONSANTO CO (US) 1992-05-27 CN claimed
US-4964893-A REDUCING INJURY TO A CROP PLANT MONSANTO COMPANY (US) 1990-10-23 US claimed

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

For each of this compound's patents that has machine-readable text (5 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-20030171220-A1 Combinations of herbicides and safeners DDT, CYP2B6, CYP2A6 ALDH1A1 64/4885KMT2A 470/4885MEN1 3703/4885
US-20030158039-A1 Herbicidal compositions comprising benzoylpyrazoles and safeners DDT, CYP4Z1, HDHD5 ALDH1A1 118/4885KMT2A 1209/4885MEN1 4254/4885
US-20030078167-A1 Herbicides comprising benzoylcyclohexanediones and safeners DDT, HPD, HDHD5 ALDH1A1 217/4885KMT2A 2491/4885MEN1 4747/4885
US-20040132619-A1 Selective substituted aryl ketone and safener based herbicides CYP2W1, CYP4Z1, CYP2E1 ALDH1A1 66/4885KMT2A 498/4885MEN1 4229/4885
US-20160000076-A1 Fungicidal Active Compound Combinations DDT, CYP4X1, CYP51A1 ALDH1A1 516/4885KMT2A 1264/4885MEN1 3706/4885

“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.