SCHEMBL674435

SCHEMBL674435

CC=C(C(=O)O)c1c([N+](=O)[O-])cc(CCCCCCCC)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.47
PLK1 P53350 1/20 0.44
PLK3 Q9H4B4 1/20 0.44
HAO1 Q9UJM8 1/20 0.40
ESR1 P03372 1/20 0.40
PTGS2 P35354 2/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HCAR3 P49019 1/20 0.38
KAT8 Q9H7Z6 2/20 0.38
PPARA Q07869 2/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
PPARG P37231 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
SCHEMBL674433 1.00 GPR84 (0.47) GPR84PLK1PLK3HAO1ESR1
SCHEMBL674957 0.84 ALDH1A1 (0.45) PLK1PLK3ESR1GAAMAPT
SCHEMBL674959 0.84 ALDH1A1 (0.45) PLK1PLK3ESR1GAAMAPT
SCHEMBL11342000 0.80 ESR1 (0.37) GPR84PLK1PLK3ESR1PTGS2
SCHEMBL11341938 0.80 ESR1 (0.37) GPR84PLK1PLK3ESR1PTGS2
SCHEMBL11057818 0.78 NR1I2 (0.37) ESR1PTGS2GAAMAPTHCAR3
SCHEMBL11057808 0.78 NR1I2 (0.37) ESR1PTGS2GAAMAPTHCAR3
SCHEMBL11374313 0.77 S1PR1 (0.45) GPR84PLK1PLK3PPARAPPARG
SCHEMBL8733612 0.77 ESR1 (0.57) GPR84ESR1PTGS2
SCHEMBL11204852 0.77 ESR1 (0.57) GPR84ESR1PTGS2

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-4055657-A S-ARYL-N-ALKYL-THIOLCARBAMATES PPG INDUSTRIES, INC. (US) 1977-10-25 US disclosed
US-4055656-A S-ARYL-N-CYCLOALKYLTHIOLCARBAMATES 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 GPR84 784/4885PLK1 4474/4885PLK3 3525/4885
US-20180296459-A1 COMPOSITIONS CONTAINING POLYMERIC, IONIC COMPOUNDS COMPRISING IMIDAZOLIUM GROUPS PUF60, POLR1C, PICALM GPR84 3656/4885PLK1 3227/4885PLK3 1107/4885
US-10016354-B2 Compositions containing polymeric, ionic compounds comprising imidazolium groups PUF60, POLR1C, PICALM GPR84 3656/4885PLK1 3227/4885PLK3 1107/4885
US-10759767-B2 Compositions comprising a triazole compound CYP1B1, CYP3A5, CYP4B1 GPR84 2240/4885PLK1 942/4885PLK3 1312/4885

“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.