SCHEMBL341876

SCHEMBL341876

C=CCOCC(C)OC(=O)COc1ccc(Cl)c2cccnc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
KDM4E B2RXH2 9/20 0.47
ALOX12 P18054 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 4/20 0.43
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
HTT P42858 1/20 0.41
CCR6 P51684 2/20 0.41
HSP90AA1 P07900 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 3/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL29514512 1.00 PKM (0.53) PKMKDM4EALOX12TDP1CYP3A4
SCHEMBL9065707 0.85 PKM (0.54) PKMKDM4EALOX12TDP1CYP3A4
SCHEMBL10544950 0.83 PKM (0.60) PKMKDM4EALOX12TDP1CYP3A4
SCHEMBL9831364 0.83 PKM (0.62) PKMKDM4EALOX12TDP1CYP3A4
SCHEMBL339943 0.83 PKM (0.62) PKMKDM4EALOX12TDP1CYP3A4
SCHEMBL9829190 0.83 PKM (0.62) PKMKDM4EALOX12TDP1CYP3A4
SCHEMBL29452841 0.83 PKM (0.62) PKMKDM4EALOX12TDP1CYP3A4
SCHEMBL9245052 0.83 PKM (0.62) PKMKDM4EALOX12TDP1CYP3A4
SCHEMBL9828540 0.83 PKM (0.56) PKMKDM4EALOX12TDP1CYP3A4
SCHEMBL4902562 0.82 PKM (0.60) PKMKDM4EALOX12TDP1CYP3A4

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 499 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
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-8507537-B2 Trifluromethoxyphenyl-substituted tetramic acid derivatives pesticides and/or herbicides BAYER CROPSCIENCE AG (DE) 2013-08-13 US claimed
US-7115543-B2 Aryl sulfonyl amino carbonyl triazole based selective herbicides BAYER CROPSCIENCE AG (DE) 2006-10-03 US claimed
US-20060166829-A1 N-Heterocycl phenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-07-27 US claimed
US-20060160847-A1 2,4-Dihalogen-6-(c2-c3alkyl)-phenyl substituted tetramic acid derivatives BAYER CROPSCIENCE AG (DE) 2006-07-20 US claimed
US-20060160703-A1 Selective herbicides based on substituted cyclic dicarbonyl compounds and safeners BAYER CROPSCIENCE AG (DE) 2006-07-20 US claimed
EP-1303189-B1 ARYL SULFONYL AMINO CARBONYL TRIAZOLE BASED SELECTIVE HERBICIDES BAYER CROPSCIENCE AG (DE) 2005-08-24 EP claimed
US-20050054535-A1 Selective herbicides based on substituted cyclic keto-enols and safeners BAYER CROPSCIENCE AG (DE) 2005-03-10 US claimed
US-20050009705-A1 Selective herbicides based on substituted thien-3-yl-sulfonylamino(thio)carbonyltriazolin(thi)ones and safeners BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-01-13 US claimed
US-20040132619-A1 Selective substituted aryl ketone and safener based herbicides BAYER CROPSCIENCE K.K. (JP) 2004-07-08 US claimed
US-20030211942-A1 Aryl sulfonyl amino carbonyl triazole based selective herbicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-11-13 US claimed
US-5488027-A Herbicide-safener combinations containing sulfonylurea or imidazolinone herbicides HOECHST AKTIENGESELLSCHAFT (DE) 1996-01-30 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 (8 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-20060166829-A1 N-Heterocycl phenyl-substituted cyclic ketoenols WEE1, KCNE1, CCNE1 PKM 12/4885KDM4E 22/4885ALOX12 1443/4885
US-20030211942-A1 Aryl sulfonyl amino carbonyl triazole based selective herbicides AADAC, CBR3, ABAT PKM 921/4885KDM4E 1867/4885ALOX12 2886/4885
US-20040132619-A1 Selective substituted aryl ketone and safener based herbicides CYP2W1, CYP4Z1, CYP2E1 PKM 450/4885KDM4E 1001/4885ALOX12 1017/4885
US-20050009705-A1 Selective herbicides based on substituted thien-3-yl-sulfonylamino(thio)carbonyltriazolin(thi)ones and safeners TARS2, TST, DDT PKM 1520/4885KDM4E 2555/4885ALOX12 3169/4885
US-20060160703-A1 Selective herbicides based on substituted cyclic dicarbonyl compounds and safeners DDT, DDX41, DDC PKM 1425/4885KDM4E 627/4885ALOX12 3144/4885
US-20050054535-A1 Selective herbicides based on substituted cyclic keto-enols and safeners DDT, LAGE3, KYAT1 PKM 33/4885KDM4E 22/4885ALOX12 2506/4885
US-20160000076-A1 Fungicidal Active Compound Combinations DDT, CYP4X1, CYP51A1 PKM 1663/4885KDM4E 2075/4885ALOX12 1253/4885
US-20060160847-A1 2,4-Dihalogen-6-(c2-c3alkyl)-phenyl substituted tetramic acid derivatives DDT, DDC, DAO PKM 306/4885KDM4E 2868/4885ALOX12 1599/4885

“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.