SCHEMBL677316

SCHEMBL677316

COc1cc(C)c(C=O)c(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.46
NQO2 P16083 2/20 0.46
ACHE P22303 1/20 0.45
AKR1B1 P15121 2/20 0.43
ERN1 O75460 4/20 0.42
PRKDC P78527 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TUBB1 Q9H4B7 1/20 0.40
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CA9 Q16790 1/20 0.39
EPHX2 P34913 1/20 0.38

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
SCHEMBL29818735 0.88 ERN1 (0.46) CYP19A1NQO2ACHEAKR1B1ERN1
SCHEMBL5143502 0.86 ERN1 (0.41) CYP19A1NQO2ACHEAKR1B1ERN1
SCHEMBL10750407 0.86 ACHE (0.43) CYP19A1NQO2ACHEAKR1B1ERN1
SCHEMBL12587651 0.85 GRIN2D (0.47) CYP19A1NQO2ERN1ALDH1A1KDM4E
SCHEMBL5313876 0.83 ERN1 (0.48) CYP19A1NQO2ACHEERN1PRKDC
SCHEMBL12841729 0.83 ERN1 (0.50) ACHEAKR1B1ERN1ALDH1A1KDM4E
SCHEMBL25342834 0.83 AKR1B1 (0.44) CYP19A1NQO2ACHEAKR1B1ERN1
SCHEMBL4551009 0.82 ALDH1A1 (0.44) ACHEAKR1B1ERN1PRKDCALDH1A1
SCHEMBL5143346 0.80 PTGS2 (0.39) CYP19A1NQO2ACHEAKR1B1ERN1
SCHEMBL6854010 0.80 AKR1B1 (0.43) CYP19A1NQO2AKR1B1ERN1PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108658816-B N-aryl amidine substituted trifluoroethyl sulfide derivatives useful as acaricides and insecticides 拜尔农作物科学股份公司 2023-05-02 CN claimed
CN-115244027-A Novel forms of metrafenone, process for their preparation and their use 江苏龙灯化学有限公司 2022-10-25 CN claimed
CN-108184905-B Compositions comprising biological control agents and fungicides 拜尔农作物科学股份公司 2021-12-28 CN claimed
CN-107996613-B Compositions comprising biological control agents and pesticides 拜尔农作物科学股份公司 2021-10-22 CN claimed
CN-109169661-B Compositions comprising biological control agents and insecticides 拜耳作物科学股份公司 2021-09-21 CN claimed
CN-107926985-B Compositions comprising biological control agents and fungicides 拜尔农作物科学股份公司 2021-02-02 CN claimed
EP-2854545-B1 COMPOSITIONS COMPRISING A BIOLOGICAL CONTROL AGENT AND AN INSECTICIDE BAYER CROPSCIENCE AG (DE) 2020-10-21 EP claimed
CN-106962403-B Compositions comprising biological control agents and pesticides 拜耳作物科学股份公司 2020-05-05 CN claimed
EP-3010893-B1 ARYLSULFIDE AND ARYLSULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2019-10-02 EP claimed
EP-2879493-B1 PESTICIDAL COMPOSITIONS COMPRISING A TERPENE MIXTURE AND FLUPYRADIFURONE BAYER CROPSCIENCE AG (DE) 2018-09-19 EP claimed
EP-2854550-B1 COMPOSITION COMPRISING A BIOLOGICAL CONTROL AGENT AND A FUNGICIDE BAYER CROPSCIENCE AG (DE) 2018-07-04 EP claimed
EP-2854546-B1 COMPOSITION COMPRISING A BIOLOGICAL CONTROL AGENT AND A FUNGICIDE SELECTED FROM INHIBITORS OF THE ERGOSTEROL BIOSYNTHESIS BAYER CROPSCIENCE AG (DE) 2018-07-04 EP claimed
EP-2793578-B1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYLSULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2018-06-06 EP claimed
EP-2854534-B1 COMPOSITIIONS COMPRISING A BIOLOGICAL CONTROL AGENT AND AN INSECTICIDE BAYER CROPSCIENCE AG (DE) 2018-04-11 EP claimed
US-20160278386-A1 COMPOSITIONS COMPRISING A BIOLOGICAL CONTROL AGENT AND A FUNGICIDE FROM THE GROUP CONSISTING OF INHIBITORS OF THE RESPIRATORY CHAIN AT COMPLEX I OR II BAYER CROPSCIENCE AG (DE) 2016-09-29 US claimed
US-20160270406-A1 COMPOSITION COMPRISING A BIOLOGICAL CONTROL AGENT AND A FUNGICIDE SELECTED FROM INHIBITORS OF AMINO ACID OR PROTEIN BIOSYNTHESIS, INHIBITORS OF ATP PRODUCTION AND INHIBITORS OF THE CELL WALL SYNTHESIS BAYER CROPSCIENCE AG (DE) 2016-09-22 US claimed
US-20160262401-A1 COMPOSITIONS COMPRISING A BIOLOGICAL CONTROL AGENT AND AN INSECTICIDE BAYER CROPSCIENCE AG (DE) 2016-09-15 US claimed
US-20160255843-A1 COMPOSITION COMPRISING A BIOLOGICAL CONTROL AGENT AND A FUNGICIDE BAYER CROPSCIENCE AG (DE) 2016-09-08 US claimed
US-20150223452-A1 COMPOSITION COMPRISING A PESTICIDAL TERPENE MIXTURE AND A FUNGICIDE BAYER CROPSCIENCE AG (DE) 2015-08-13 US claimed
CN-102775290-A Preparation method of 2-(chloromethyl)-5,6-dimethoxy-3-methyl-1,4-para benzoquinone UNIV KUNMING SCIENCE & TECHNOLOGY 2012-11-14 CN 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 (1 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-20160262401-A1 COMPOSITIONS COMPRISING A BIOLOGICAL CONTROL AGENT AND AN INSECTICIDE O60361, GAP43, BMP4 CYP19A1 2090/4885NQO2 477/4885ACHE 79/4885

“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.