SCHEMBL2047797

SCHEMBL2047797

CC(C)Oc1ccccc1Oc1nnc(Cl)cc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
ACHE P22303 1/20 0.44
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
IRAK4 Q9NWZ3 2/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
TLR8 Q9NR97 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAP2 P11137 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
AR P10275 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL2052371 0.87 ALDH1A1 (0.34) ALDH1A1S1PR3KDM4EMAPTLMNA
SCHEMBL2051725 0.83 CA1 (0.40) ALDH1A1MAPTLMNARAB9AL3MBTL1
SCHEMBL2053013 0.83 CA1 (0.44) ALDH1A1KDM4EMAPTLMNARAB9A
SCHEMBL2048850 0.83 TP53 (0.42) ALDH1A1KDM4EMAPTLMNARAB9A
SCHEMBL2046187 0.82 GABRA1 (0.41) ALDH1A1ADRA2AADRA2BADRA2CNISCH
SCHEMBL2047260 0.81 LMNA (0.46) ALDH1A1NPSR1MAPTLMNARAB9A
SCHEMBL2047940 0.80 MEN1 (0.47) ALDH1A1NPSR1KDM4EMAPTAR
SCHEMBL2044425 0.79 MEN1 (0.45) ALDH1A1NPSR1KDM4EMAPTLMNA
SCHEMBL2049044 0.79 GABRA1 (0.39) ALDH1A1KDM4ERAB9AL3MBTL1
SCHEMBL2046102 0.79 ALDH1A1 (0.34) ALDH1A1RAB9AL3MBTL1KCNQ3KCNQ2

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 ALDH1A1 447/4885ACHE 48/4885S1PR1 2344/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 ALDH1A1 762/4885ACHE 68/4885S1PR1 2429/4885

“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.