SCHEMBL674958

SCHEMBL674958

CCCCCCCCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C/C=C/C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 1/20 0.42
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
ATG4B Q9Y4P1 10/20 0.36
PLA2G1B P04054 8/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
CYP1A2 P05177 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL674434 0.86 ATG4B (0.44) TDP1ATG4BPLA2G1BTHRATHRB
SCHEMBL8754553 0.81 TDP1 (0.39) TDP1ALDH1A1
SCHEMBL19328780 0.81 TDP1 (0.39) TDP1ALDH1A1
SCHEMBL11263727 0.80 CYP1A2 (0.39) TDP1ALDH1A1CYP1A2RECQL
SCHEMBL11061658 0.78 TDP1 (0.37) TDP1ALDH1A1
SCHEMBL674959 0.78 ALDH1A1 (0.45) TDP1ALDH1A1CYP1A2
SCHEMBL674957 0.78 ALDH1A1 (0.45) TDP1ALDH1A1CYP1A2
SCHEMBL1857493 0.78 GPR35 (0.51) TDP1ALDH1A1CYP1A2RECQL
SCHEMBL17965861 0.78 GPR35 (0.51) TDP1ALDH1A1CYP1A2RECQL
SCHEMBL11058952 0.77 GAA (0.37) TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050042239-A1 Process for preparing biocide formulations LIPIECKI FRANCIS JOSEPH (US) 2005-02-24 US claimed
EP-1508276-A1 Process for preparing biocide formulations in the form of emulsion Rohm and Haas Company (US) 2005-02-23 EP claimed
EP-0648414-B1 Fully water-dilutable microemulsions ROHM & HAAS (US) 1999-11-17 EP claimed
EP-0648414-A2 Fully water-dilutable microemulsions ROHM AND HAAS COMPANY (US) 1995-04-19 EP claimed
US-20220168278-A1 LOW DOSE FLURALANER COMPOSITIONS FOR PROTECTION AGAINST PARASITIC INVERTEBRATE PEST VIRBAC (FR) 2022-06-02 US disclosed
EP-3927341-A1 LOW DOSE FLURALANER COMPOSITIONS FOR PROTECTION AGAINST PARASITIC INVERTEBRATE PEST VIRBAC (FR) 2021-12-29 EP disclosed
WO-2020201440-A1 LOW DOSE FLURALANER COMPOSITIONS FOR PROTECTION AGAINST PARASITIC INVERTEBRATE PEST VIRBAC (FR) 2020-10-08 WO disclosed
US-10759767-B2 Compositions comprising a triazole compound BASF Agro B.V. (NL) 2020-09-01 US disclosed
EP-3646731-A1 PESTICIDAL MIXTURES COMPRISING A PYRAZOLE COMPOUND BASF SE (DE) 2020-05-06 EP disclosed
EP-3300602-B1 PESTICIDAL MIXTURES COMPRISING A PYRAZOLE COMPOUND BASF SE (DE) 2020-03-25 EP disclosed
EP-3498098-A1 COMPOSITIONS COMPRISING A TRIAZOLE COMPOUND BASF Agro B.V. (NL) 2019-06-19 EP disclosed
US-20180296459-A1 COMPOSITIONS CONTAINING POLYMERIC, IONIC COMPOUNDS COMPRISING IMIDAZOLIUM GROUPS BASF SE (DE) 2018-10-18 US disclosed
US-4105797-A INSECTICIDES GAF CORPORATION (US) 1978-08-08 US disclosed
US-4087553-A Fungicidal 2,6-dinitrodiphenylthioethers GAF CORPORATION (US) 1978-05-02 US disclosed
US-4075006-A PESTICIDES, NEMATOCIDES, FUNGICIDES PPG INDUSTRIES, INC. (US) 1978-02-21 US disclosed
US-4059609-A HERBICIDE, NEMATOCIDE, FUNGICIDE PPG INDUSTRIES, INC. (US) 1977-11-22 US disclosed
US-4056549-A PLANT PESTICIDE PPG INDUSTRIES, INC. (US) 1977-11-01 US disclosed
US-4055656-A S-ARYL-N-CYCLOALKYLTHIOLCARBAMATES PPG INDUSTRIES, INC. (US) 1977-10-25 US disclosed
US-4055657-A S-ARYL-N-ALKYL-THIOLCARBAMATES PPG INDUSTRIES, INC. (US) 1977-10-25 US disclosed
US-4046912-A S-p-Methoxyphenyl N-2,3-dibromopropylthiolcarbamate and its use in the control of plant nematodes PPG INDUSTRIES, INC. (US) 1977-09-06 US 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 (3 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-20220168278-A1 LOW DOSE FLURALANER COMPOSITIONS FOR PROTECTION AGAINST PARASITIC INVERTEBRATE PEST P2RX7, CAT, PDE8A TDP1 3453/4885ALDH1A1 3318/4885F7 140/4885
US-20180296459-A1 COMPOSITIONS CONTAINING POLYMERIC, IONIC COMPOUNDS COMPRISING IMIDAZOLIUM GROUPS PUF60, POLR1C, PICALM TDP1 1127/4885ALDH1A1 4122/4885F7 255/4885
US-10759767-B2 Compositions comprising a triazole compound CYP1B1, CYP3A5, CYP4B1 TDP1 2155/4885ALDH1A1 695/4885F7 738/4885

“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.