SCHEMBL2045227

SCHEMBL2045227

COc1c(C)c(C)cc(C)c1C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.50
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
GFER P55789 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
IDO1 P14902 3/20 0.41
KCNA3 P22001 4/20 0.39
IMPDH2 P12268 2/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 1/20 0.39
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC37A4 O43826 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL12554386 0.84 POLB (0.55) CYP3A4POLBMEN1MAPTHPGD
SCHEMBL12554393 0.82 POLB (0.54) CYP3A4POLBMEN1MAPTHPGD
SCHEMBL7953582 0.76 CYP3A4 (0.44) CYP3A4POLBMEN1MAPTHPGD
SCHEMBL11121530 0.76 CYP3A4 (0.44) CYP3A4NPSR1KCNA3PKMUSP2
SCHEMBL9752570 0.76 CYP3A4 (0.44) CYP3A4NPSR1KCNA3PKMUSP2
SCHEMBL12141654 0.76 CYP3A4 (0.42) CYP3A4POLBMEN1HPGDKMT2A
SCHEMBL3735175 0.75 CYP3A4 (0.47) CYP3A4MEN1MAPTHPGDKMT2A
SCHEMBL2810235 0.75 CYP3A4 (0.44) CYP3A4POLBMEN1MAPTHPGD
SCHEMBL5566891 0.75 ACHE (0.43) CYP3A4MAPTTDP1IMPDH2MAPK1
SCHEMBL2046049 0.74 CYP3A4 (0.52) CYP3A4POLBMEN1MAPTHPGD

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 CYP3A4 89/4885POLB 3808/4885MEN1 4596/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 CYP3A4 132/4885POLB 3884/4885MEN1 4495/4885

“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.