SCHEMBL674434

SCHEMBL674434

CCCCCCCCc1cc([N+](=O)[O-])c(C/C=C/C(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATG4B Q9Y4P1 12/20 0.44
PLA2G1B P04054 10/20 0.44
THRA P10827 2/20 0.44
THRB P10828 2/20 0.44
CYP1A2 P05177 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RECQL P46063 1/20 0.44
GPR84 Q9NQS5 1/20 0.41

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
SCHEMBL674958 0.86 TDP1 (0.42) ATG4BPLA2G1BTHRATHRBCYP1A2
SCHEMBL11341954 0.81 ESR1 (0.36) CYP1A2RECQLGPR84
SCHEMBL11057812 0.79 NR1I2 (0.36)
SCHEMBL11374313 0.78 S1PR1 (0.45) GPR84
SCHEMBL11058374 0.77 MAPT (0.38)
SCHEMBL674433 0.77 GPR84 (0.47) THRATHRBGPR84
SCHEMBL674435 0.77 GPR84 (0.47) THRATHRBGPR84
SCHEMBL8754553 0.75 TDP1 (0.39) TDP1
SCHEMBL19328780 0.75 TDP1 (0.39) TDP1
SCHEMBL11204852 0.75 ESR1 (0.57) GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-3378313-A1 COMPOSITIONS CONTAINING POLYMERIC, IONIC COMPOUNDS COMPRISING IMIDAZOLIUM GROUPS BASF SE (DE) 2018-09-26 EP disclosed
US-10016354-B2 Compositions containing polymeric, ionic compounds comprising imidazolium groups BASF SE (DE) 2018-07-10 US disclosed
EP-3318127-A1 COMPOSITIONS COMPRISING KHCO3 BASF SE (DE) 2018-05-09 EP disclosed
US-4282168-A FUNGICIDES PPG INDUSTRIES, INC. (US) 1981-08-04 US disclosed
US-4213915-A FUNGICIDES, NEMATOCIDES PPG INDUSTRIES, INC. (US) 1980-07-22 US disclosed
US-4132800-A NEMATOCIDES FOR PLANTS PPG INDUSTRIES, INC. (US) 1979-01-02 US disclosed
US-4120886-A APHIDICIDES PPG INDUSTRIES, INC. (US) 1978-10-17 US disclosed
US-4117155-A APPLYING FUNGICIDE TO SOIL PPG INDUSTRIES, INC. (US) 1978-09-26 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

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

For each of this compound's patents that has machine-readable text (4 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 ATG4B 157/4885PLA2G1B 968/4885THRA 316/4885
US-20180296459-A1 COMPOSITIONS CONTAINING POLYMERIC, IONIC COMPOUNDS COMPRISING IMIDAZOLIUM GROUPS PUF60, POLR1C, PICALM ATG4B 2716/4885PLA2G1B 2888/4885THRA 4793/4885
US-10016354-B2 Compositions containing polymeric, ionic compounds comprising imidazolium groups PUF60, POLR1C, PICALM ATG4B 2716/4885PLA2G1B 2888/4885THRA 4793/4885
US-10759767-B2 Compositions comprising a triazole compound CYP1B1, CYP3A5, CYP4B1 ATG4B 131/4885PLA2G1B 3687/4885THRA 3120/4885

“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.