SCHEMBL2052044

SCHEMBL2052044

Cc1cc(C)c(C)c(Oc2nnc(Cl)cc2O)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 4/20 0.35
GAA P10253 2/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
MPI P34949 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.32
ACHE P22303 1/20 0.31
PTPN1 P18031 1/20 0.31
LMNA P02545 2/20 0.31
CRHR1 P34998 1/20 0.31
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL2050925 0.85 KDM4E (0.33) MAPTALDH1A1KDM4EGAAPOLB
SCHEMBL2048183 0.84 CRHR1 (0.35) MAPTALDH1A1KDM4EGAAPOLB
SCHEMBL2049073 0.82 KDM4E (0.32) MAPTALDH1A1KDM4EGAAPOLB
SCHEMBL2051523 0.81 TSHR (0.39) ALDH1A1KMT2ASMN1; SMN2LMNAHPGD
SCHEMBL2050143 0.81 GAA (0.42) MAPTGAAKMT2ASMN1; SMN2LMNA
SCHEMBL2047228 0.81
SCHEMBL2046252 0.80 KDM4E (0.30) MAPTALDH1A1KDM4EGAAPOLB
SCHEMBL2046719 0.80 KDM4E (0.30) MAPTALDH1A1KDM4EGAAPOLB
SCHEMBL2052233 0.80 RXRA (0.43) MAPTALDH1A1KDM4EGAAPOLB
SCHEMBL2051389 0.79 POLB (0.38) MAPTALDH1A1KDM4EGAAPOLB

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 MAPT 4175/4885ALDH1A1 447/4885KDM4E 923/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 MAPT 3630/4885ALDH1A1 762/4885KDM4E 960/4885

“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.