SCHEMBL341296

SCHEMBL341296

CCOC(=O)C(OC)(c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.51
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
KCNN4 O15554 1/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 2/20 0.45
RECQL P46063 1/20 0.45
MMP8 P22894 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
POLB P06746 2/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 1/20 0.44
CES1 P23141 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42

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
SCHEMBL27671651 0.91 CYP3A4 (0.49) PIN1CYP3A4CYP2D6KCNN4LMNA
SCHEMBL10334725 0.87 NPSR1 (0.45) PIN1CYP3A4CYP2D6ALDH1A1NPSR1
SCHEMBL2488944 0.86 LMNA (0.50) CYP3A4CYP2D6KCNN4LMNAALDH1A1
SCHEMBL27585378 0.86 CYP3A4 (0.63) PIN1CYP3A4CYP2D6KCNN4LMNA
SCHEMBL10334703 0.83 CYP3A4 (0.54) CYP3A4CYP2D6LMNAALDH1A1NPSR1
SCHEMBL11426878 0.83 ABCB11 (0.54) CYP3A4ALDH1A1NPSR1POLBTSHR
SCHEMBL11429355 0.83 ALDH1A1 (0.47) PIN1CYP3A4LMNAALDH1A1RECQL
SCHEMBL9292333 0.83 ALDH1A1 (0.53) KCNN4LMNAALDH1A1MEN1KMT2A
SCHEMBL27916287 0.82 CES1 (0.56) PIN1KCNN4ALDH1A1RECQLMMP8
SCHEMBL10334692 0.81 KCNN4 (0.47) CYP3A4CYP2D6KCNN4LMNAALDH1A1

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 713 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-20070129252-A1 2-Halo-6-alkylphenyl-substituted spirocyclic tetramic acid derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-06-07 US claimed
US-20070093391-A1 4-Biphenyl-substituted pyrazolidin-3 5-diones pesticide agent and/or microbicide and/or herbicide BAYER CROPSCIENCE AG (DE) 2007-04-26 US claimed
US-20070066488-A1 Hetaryl-substituted pyrazolidindione derivatives with pesticidal characteristics BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-03-22 US claimed
US-20070015664-A1 2,4,6-Phenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2007-01-18 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
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

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

For each of this compound's patents that has machine-readable text (11 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-20070015664-A1 2,4,6-Phenyl substituted cyclic ketoenols CYP4X1, KDM4E, KCNE1 PIN1 459/4885CYP3A4 58/4885CYP2D6 60/4885
US-20070066488-A1 Hetaryl-substituted pyrazolidindione derivatives with pesticidal characteristics DDT, CYP1A2, HPD PIN1 181/4885CYP3A4 8/4885CYP2D6 11/4885
US-20070093391-A1 4-Biphenyl-substituted pyrazolidin-3 5-diones pesticide agent and/or microbicide and/or herbicide DDT, CYP4X1, HPD PIN1 403/4885CYP3A4 21/4885CYP2D6 32/4885
US-20060166829-A1 N-Heterocycl phenyl-substituted cyclic ketoenols WEE1, KCNE1, CCNE1 PIN1 104/4885CYP3A4 69/4885CYP2D6 130/4885
US-20070129252-A1 2-Halo-6-alkylphenyl-substituted spirocyclic tetramic acid derivatives TBCA, CA6, TRIP13 PIN1 155/4885CYP3A4 576/4885CYP2D6 25/4885
US-20040132619-A1 Selective substituted aryl ketone and safener based herbicides CYP2W1, CYP4Z1, CYP2E1 PIN1 76/4885CYP3A4 54/4885CYP2D6 19/4885
US-20050009705-A1 Selective herbicides based on substituted thien-3-yl-sulfonylamino(thio)carbonyltriazolin(thi)ones and safeners TARS2, TST, DDT PIN1 89/4885CYP3A4 173/4885CYP2D6 31/4885
US-20060160703-A1 Selective herbicides based on substituted cyclic dicarbonyl compounds and safeners DDT, DDX41, DDC PIN1 635/4885CYP3A4 157/4885CYP2D6 12/4885
US-20050054535-A1 Selective herbicides based on substituted cyclic keto-enols and safeners DDT, LAGE3, KYAT1 PIN1 173/4885CYP3A4 144/4885CYP2D6 10/4885
US-20160000076-A1 Fungicidal Active Compound Combinations DDT, CYP4X1, CYP51A1 PIN1 1126/4885CYP3A4 28/4885CYP2D6 29/4885
US-20060160847-A1 2,4-Dihalogen-6-(c2-c3alkyl)-phenyl substituted tetramic acid derivatives DDT, DDC, DAO PIN1 249/4885CYP3A4 152/4885CYP2D6 5/4885

“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.