SCHEMBL2046151

SCHEMBL2046151

Oc1cc(Cl)nnc1Oc1ccccc1C1(c2ccccc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.37
NR1I2 O75469 9/20 0.37
ALOX5AP P20292 1/20 0.32
FTO Q9C0B1 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
LMNA P02545 1/20 0.30
ADRB2 P07550 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 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
SCHEMBL2046921 0.83 LMNA (0.32) HSD11B1NR1I2L3MBTL1LMNAADRB2
SCHEMBL2044991 0.82 PIN1 (0.36) L3MBTL1ALDH1A1RAB9A
SCHEMBL2047766 0.81 ALOX5 (0.33) HSD11B1NR1I2L3MBTL1ALDH1A1RAB9A
SCHEMBL2046516 0.81 AKR1C1 (0.36) FTOL3MBTL1ALDH1A1RAB9A
SCHEMBL2047308 0.80 OPRM1 (0.31) HSD11B1NR1I2L3MBTL1ALDH1A1RAB9A
SCHEMBL2049834 0.80 ALDH1A1 (0.30) L3MBTL1ALDH1A1RAB9A
SCHEMBL2047510 0.79 LMNA (0.34) LMNAADRB2SMN1; SMN2
SCHEMBL2048800 0.78 P2RY1 (0.32) L3MBTL1ALDH1A1RAB9A
SCHEMBL2047115 0.77 LMNA (0.33) LMNAADRB2SMN1; SMN2
SCHEMBL2051186 0.77

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 HSD11B1 586/4885NR1I2 514/4885ALOX5AP 2631/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 HSD11B1 696/4885NR1I2 541/4885ALOX5AP 2976/4885

“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.