SCHEMBL2046841

SCHEMBL2046841

CC(C)c1ccc(C2CC2)c(Oc2nnc(Cl)cc2O)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.32
TRPA1 O75762 1/20 0.32
PTGS1 P23219 1/20 0.32
CACNA1C Q13936 1/20 0.32
ALDH1A1 P00352 2/20 0.31
ALOX12 P18054 2/20 0.31
HTT P42858 2/20 0.31
GAA P10253 1/20 0.31
HIF1A Q16665 1/20 0.31
CNR2 P34972 3/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
TYR P14679 2/20 0.30
ADRA2A P08913 3/20 0.30
ADRA2B P18089 3/20 0.30
ADRA2C P18825 3/20 0.30
HTR1A P08908 2/20 0.30
CNR1 P21554 1/20 0.30
RNASEH1 O60930 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL2050331 0.85 SLC6A2 (0.37) HTR1AMAPTHPGD
SCHEMBL2044402 0.84 SLC6A2 (0.41) HTR1A
SCHEMBL2047563 0.82 SLC6A2 (0.41) HTR1A
SCHEMBL2049689 0.81 PANK3 (0.35) TRPA1CNR2CNR1SMN1; SMN2
SCHEMBL2047443 0.81 HTR1A (0.41) ADRA2AADRA2BADRA2CHTR1A
SCHEMBL2047091 0.81 TRPA1 (0.46) TRPA1PTGS1CACNA1CTYR
SCHEMBL2049279 0.80 PTGDR2 (0.35) CNR2CNR1
SCHEMBL2046112 0.79 ADRA2A (0.31) PTGS1HIF1AADRA2AADRA2BADRA2C
SCHEMBL2046538 0.77 PTPN1 (0.40) NPSR1TRPA1PTGS1CACNA1CALDH1A1
SCHEMBL2051525 0.77 HTR1A (0.38) HTR1AKDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964531-B2 3-phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same MITSUI CHEMICALS AGRO, INC. (JP) 2011-06-21 US disclosed
US-20100041555-A1 3-Phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same MITSUI CHEMICALS AGRO, INC. (JP) 2010-02-18 US disclosed
US-7608563-B2 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same MITSUI AGRO CHEMICALS, INC. (JP) 2009-10-27 US disclosed
EP-1426365-B9 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME MITSUI CHEMICALS AGRO INC (JP) 2009-10-21 EP disclosed
EP-1426365-B1 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME SANKYO AGRO CO LTD (JP) 2009-07-15 EP disclosed
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same SANKYO AGRO COMPANY, LIMITED (JP) 2005-02-17 US disclosed
EP-1426365-A1 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME Sankyo Agro Company, Limited (JP) 2004-06-09 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 (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-20100041555-A1 3-Phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same CBR3, DDT, CBR1 NPSR1 2143/4885TRPA1 700/4885PTGS1 2141/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 NPSR1 2101/4885TRPA1 752/4885PTGS1 2365/4885

“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.