SCHEMBL906659

SCHEMBL906659

C/C=C/C(=O)Oc1c([N+](=O)[O-])cc(CCCCCCCC)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.44
THRA P10827 2/20 0.44
GPR84 Q9NQS5 2/20 0.40
ESR1 P03372 1/20 0.40
ALDH1A1 P00352 1/20 0.38
PLK1 P53350 1/20 0.38
PLK3 Q9H4B4 1/20 0.38
PTGS2 P35354 2/20 0.37
FUT7 Q11130 1/20 0.36
KCNH2 Q12809 1/20 0.36
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35

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
SCHEMBL906661 1.00 THRB (0.44) THRBTHRAGPR84ESR1ALDH1A1
SCHEMBL21233 0.87 FUT7 (0.39) THRBTHRAALDH1A1FUT7
SCHEMBL906419 0.84 TDP1 (0.44) THRBTHRAESR1ALDH1A1
SCHEMBL874774 0.84 TDP1 (0.44) THRBTHRAESR1ALDH1A1
SCHEMBL1855881 0.81 ESR1 (0.37) THRBTHRAGPR84ESR1ALDH1A1
SCHEMBL1855877 0.81 ESR1 (0.37) THRBTHRAGPR84ESR1ALDH1A1
SCHEMBL11121301 0.81 BCL9 (0.45) THRBTHRAGPR84ESR1ALDH1A1
SCHEMBL27686380 0.80 TDP1 (0.37) ESR1ALDH1A1PTGS2
SCHEMBL28326421 0.79 GAA (0.34) ALDH1A1PLK1PLK3FUT7
Diphenylether SCHEMBL28220905 0.79 MEN1 (0.39) THRBALDH1A1FUT7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250060343-A1 METHODS AND COMPOSITIONS FOR ANALYTE QUANTIFICATION MATTERWORKS INC 2025-02-20 US disclosed
US-12146869-B2 Methods and compositions for analyte quantification MATTERWORKS INC (US) 2024-11-19 US disclosed
EP-4437319-A1 METHODS AND COMPOSITIONS FOR ANALYTE QUANTIFICATION Matterworks Inc (US) 2024-10-02 EP disclosed
US-12100484-B2 Methods and compositions for analyte quantification MATTERWORKS INC (MA) 2024-09-24 US disclosed
US-20240167986-A1 METHODS AND COMPOSITIONS FOR ANALYTE QUANTIFICATION MATTERWORKS INC 2024-05-23 US disclosed
US-20230413808-A1 Bioactive complexes CERADIS PATENT B.V. (NL) 2023-12-28 US disclosed
EP-4250924-A1 BIOACTIVE COMPLEXES Ceradis Patent B.V. (NL) 2023-10-04 EP disclosed
US-11754536-B2 Methods and compositions for analyte quantification MATTERWORKS INC (US) 2023-09-12 US disclosed
US-20230170049-A1 METHODS AND COMPOSITIONS FOR ANALYTE QUANTIFICATION MATTERWORKS INC 2023-06-01 US disclosed
US-20230137741-A1 METHODS AND COMPOSITIONS FOR ANALYTE QUANTIFICATION MATTERWORKS INC 2023-05-04 US disclosed
US-20050239805-A1 Mixtures of fused pyrimidinones and dinitrophenolic compounds useful for controlling powdery mildews E. I. DU PONT DE NEMOURS AND COMPANY 2005-10-27 US disclosed
US-20050227956-A1 Control of mold growth on wood E. I. DU PONT DE NEMOURS AND COMPANY 2005-10-13 US disclosed
EP-1516634-A1 VOLATILIZER Earth Chemical Co., Ltd. (JP) 2005-03-23 EP disclosed
WO-2005022999-A2 PESTICIDAL COMPOSITIONS CONTAINING DINOCAP AGRICHEM LTD. (IL) 2005-03-17 WO disclosed
EP-1511380-A1 MIXTURES OF FUSED PYRIMIDINONES AND DINITROPHENOLIC COMPOUNDS USEFUL FOR CONTROLLING POWDERY MILDEWS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2005-03-09 EP disclosed
WO-2003103393-A1 MIXTURES OF FUSED PYRIMIDINONES AND DINITROPHENOLIC COMPOUNDS USEFUL FOR CONTROLLING POWDERY MILDEWS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-12-18 WO disclosed
US-6183765-B1 SILICONE ELASTOMERS CAPABLE OF RELEASING PYRETHROID INSECTICIDES COMPRISED IN THEM, WITH OR WITHOUT HEATING, WITHOUT CHANGING THEIR FORM IN THE PROCESS. BAYER AKTIENGESELLSCHAFT (DE) 2001-02-06 US disclosed
US-4228124-A Fumigating method and apparatus EARTH CHEMICAL COMPANY (JP) 1980-10-14 US disclosed
US-4171340-A BLOWING AGENT WHICH DECOMPOSES TO NITROGEN EARTH CHEMICAL COMPANY, LTD. (JP) 1979-10-16 US disclosed
US-4163038-A ACTIVE INGREDIENT AND BLOWING AGENT EARTH CHEMICAL COMPANY, LIMITED (JP) 1979-07-31 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 (2 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-20050227956-A1 Control of mold growth on wood ERG28, AKR7A2, DPM1 THRB 3656/4885THRA 2796/4885GPR84 4310/4885
US-20050239805-A1 Mixtures of fused pyrimidinones and dinitrophenolic compounds useful for controlling powdery mildews CBR3, CBR1, C9 THRB 2629/4885THRA 3415/4885GPR84 2640/4885

“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.