SCHEMBL2789503

SCHEMBL2789503

CC=CCOCN(C(=O)CCl)c1c(CC)cccc1CC

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
TP53 P04637 6/20 0.65
ALDH1A1 P00352 3/20 0.63
CYP3A4 P08684 1/20 0.63
NR1I2 O75469 1/20 0.56
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.38
THRB P10828 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
PAX8 Q06710 2/20 0.34
JAK2 O60674 1/20 0.34
GPX4 P36969 1/20 0.33

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
SCHEMBL135892 1.00 TDP1 (0.69) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL135893 1.00 TDP1 (0.69) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL10495589 0.90 TDP1 (0.69) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL10495725 0.88 TDP1 (0.70) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL9659099 0.86 ALDH1A1 (0.61) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL9659088 0.86 ALDH1A1 (0.61) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL9420240 0.85 TP53 (0.84) TDP1MEN1KMT2ATP53ALDH1A1
Butachlor SCHEMBL65784 0.82 TDP1 (1.00) TDP1MEN1KMT2ATP53ALDH1A1
Butachlor SCHEMBL4891145 0.82 TDP1 (1.00) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL9614001 0.81 TDP1 (0.85) TDP1MEN1KMT2ATP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200107547-A1 Carbamoyl Triazolinone Based Herbicide Combinations and Method of Use ARYSTA LIFESCIENCE CORP (JP) 2020-04-09 US claimed
US-20100311589-A1 CARBAMOYL TRIAZOLINONE BASED HERBICIDE COMBINATIONS AND METHOD OF USE ARYSTA LIFESCIENCE CORPORATION (JP) 2010-12-09 US claimed
US-20050192182-A1 Herbicidal mixtures based on substituted aryl ketones BAYER CROPSCIENCE AG (DE) 2005-09-01 US claimed
US-20050090397-A1 Herbicides made from substituted aryl ketones BAYER CROPSCIENCE AG (GB) 2005-04-28 US claimed
EP-1423005-A1 HERBICIDAL MIXTURES BASED ON SUBSTITUTED ARYL KETONES Bayer CropScience AG (DE) 2004-06-02 EP claimed
EP-0861026-B1 SYNERGISTIC HERBICIDAL MIXTURES CONTAINING CYCLOHEXENONE OXIME ETHER BASF AG (DE) 2003-04-02 EP claimed
WO-2003020033-A1 HERBICIDAL MIXTURES BASED ON SUBSTITUTED ARYL KETONES BAYER CROPSCIENCE AG (DE) 2003-03-13 WO claimed
US-6103664-A Synergistic herbicidal mixtures containing cyclohexenone oxime ethers BASF AKTIENGESELLSCHAFT (DE) 2000-08-15 US claimed
US-5468747-A Fungicidal compositions and methods of use employing pyrimidine derivatives ZENECA LIMITED (GB) 1995-11-21 US claimed
US-11917994-B2 Carbamoyl triazolinone based herbicide combinations and method of use ARYSTA LIFESCIENCE CORPORATION (JP) 2024-03-05 US disclosed
US-20220378047-A1 CARBAMOYL TRIAZOLINONE BASED HERBICIDE COMBINATIONS AND METHODS OF USE ARYSTA LIFESCIENCE CORP (JP) 2022-12-01 US disclosed
US-11432549-B2 Carbamoyl triazolinone based herbicide combinations and method of use ARYSTA LIFESCIENCE CORPORATION (JP) 2022-09-06 US disclosed
US-20200107547-A1 Carbamoyl Triazolinone Based Herbicide Combinations and Method of Use ARYSTA LIFESCIENCE CORP (JP) 2020-04-09 US disclosed
US-20190223439-A1 Carbamoyl Triazolinone Based Herbicide Combinations and Method of Use ARYSTA LIFESCIENCE CORPORATION (JP) 2019-07-25 US disclosed
EP-0434357-A2 Fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-06-26 EP disclosed
EP-0430471-A1 Fungicides ZENECA LIMITED (GB) 1991-06-05 EP disclosed
US-4999381-A Fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-03-12 US disclosed
US-4994495-A Fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-02-19 US disclosed
EP-0393861-A1 Fungicides ZENECA LIMITED (GB) 1990-10-24 EP disclosed
EP-0341845-A2 Fungicides ZENECA LIMITED (GB) 1989-11-15 EP 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 (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-11917994-B2 Carbamoyl triazolinone based herbicide combinations and method of use DDT, NOTUM, WEE1 TDP1 2192/4885MEN1 4396/4885KMT2A 266/4885
US-20220378047-A1 CARBAMOYL TRIAZOLINONE BASED HERBICIDE COMBINATIONS AND METHODS OF USE DDT, NOTUM, WEE1 TDP1 2074/4885MEN1 4387/4885KMT2A 223/4885
US-20050192182-A1 Herbicidal mixtures based on substituted aryl ketones DDT, CBR3, CYP1B1 TDP1 1519/4885MEN1 4659/4885KMT2A 505/4885
US-20190223439-A1 Carbamoyl Triazolinone Based Herbicide Combinations and Method of Use DDT, NOTUM, WEE1 TDP1 2192/4885MEN1 4396/4885KMT2A 266/4885
US-20200107547-A1 Carbamoyl Triazolinone Based Herbicide Combinations and Method of Use DDT, NOTUM, WEE1 TDP1 2192/4885MEN1 4396/4885KMT2A 266/4885
US-11432549-B2 Carbamoyl triazolinone based herbicide combinations and method of use DDT, NOTUM, WEE1 TDP1 2192/4885MEN1 4396/4885KMT2A 266/4885
US-20050090397-A1 Herbicides made from substituted aryl ketones DDT, CBR3, CBR1 TDP1 807/4885MEN1 4607/4885KMT2A 405/4885
US-20100311589-A1 CARBAMOYL TRIAZOLINONE BASED HERBICIDE COMBINATIONS AND METHOD OF USE DDT, NOTUM, WEE1 TDP1 2192/4885MEN1 4396/4885KMT2A 266/4885

“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.