SCHEMBL2051855

SCHEMBL2051855

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
ALOX15 P16050 4/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 3/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
ESRRA P11474 3/20 0.34
ACLY P53396 1/20 0.34
CYP2C19 P33261 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.31
CYP2D6 P10635 1/20 0.31
LMNA P02545 2/20 0.31

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
SCHEMBL2046606 0.86 SCN9A (0.37) ALDH1A1ALOX15HPGDTDP1MAPT
SCHEMBL2044730 0.83 TDP1 (0.41) ALDH1A1TDP1P2RY1P2RY14
SCHEMBL2051540 0.82 ALDH1A1 (0.38) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL2048289 0.81 ALDH1A1 (0.41) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL2046486 0.78 SCN9A (0.37) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL2047575 0.78 CYP2C9 (0.47) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL28857734 0.75 CA1 (0.44) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL2048735 0.73 GABRA1 (0.41) ALDH1A1TDP1GAACA2SMN1; SMN2
SCHEMBL2044813 0.72 CA2 (0.33) ALDH1A1TDP1CA2
SCHEMBL2048850 0.71 TP53 (0.42) ALDH1A1ALOX15HPGDHSD17B10MAPT

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 447/4885ALOX15 3730/4885HPGD 1537/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 ALDH1A1 762/4885ALOX15 4178/4885HPGD 1885/4885

“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.