SCHEMBL2045690

SCHEMBL2045690

CCC(C)c1ccccc1Oc1nnc(Cl)cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
NISCH Q9Y2I1 1/20 0.38
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ATM Q13315 1/20 0.36
RORC P51449 1/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.34
HTR2A P28223 3/20 0.33
SLC6A4 P31645 3/20 0.33
KCNH2 Q12809 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
BCHE P06276 1/20 0.32

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
SCHEMBL2046187 0.86 GABRA1 (0.41) TSHRNISCHL3MBTL1ALDH1A1LMNA
SCHEMBL2047809 0.83 TSHR (0.40) TSHRRORCLMNAHTR2ASLC6A4
SCHEMBL2044425 0.81 MEN1 (0.45) TSHRKDM4EL3MBTL1ALDH1A1ATM
SCHEMBL2048850 0.78 TP53 (0.42) TSHRKDM4EL3MBTL1ALDH1A1LMNA
SCHEMBL2046329 0.78 KMT2A (0.40) L3MBTL1ALDH1A1SLC6A4MAPTNPSR1
SCHEMBL2047797 0.78 ALDH1A1 (0.44) TSHRNISCHKDM4EL3MBTL1ALDH1A1
SCHEMBL2049044 0.77 GABRA1 (0.39) KDM4EL3MBTL1ALDH1A1HTR2ASLC6A4
SCHEMBL2049172 0.77 MEN1 (0.42) TSHRKDM4EL3MBTL1ALDH1A1ATM
SCHEMBL2047260 0.77 LMNA (0.46) L3MBTL1ALDH1A1HTTLMNASLC6A4
SCHEMBL2048020 0.77 MEN1 (0.39) KDM4EL3MBTL1ALDH1A1HTTLMNA

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 TSHR 603/4885NISCH 1727/4885KDM4E 923/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 TSHR 600/4885NISCH 2171/4885KDM4E 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.