SCHEMBL2048645

SCHEMBL2048645

Cc1cc(C)c(C2CC2)c(O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.42
SELP P16109 1/20 0.42
SELE P16581 1/20 0.42
ACHE P22303 1/20 0.42
CNR1 P21554 6/20 0.40
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
UGT2B17 O75795 2/20 0.36
ALDH1A1 P00352 3/20 0.35
GAA P10253 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
TRPA1 O75762 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
CNR2 P34972 4/20 0.33
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
TAS1R2 Q8TE23 2/20 0.33
POLB P06746 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
SCHEMBL11701041 0.92 CNR1 (0.41) SELLSELPSELEACHECNR1
Cyclomenol SCHEMBL2109474 0.90 CNR1 (0.43) SELLSELPSELEACHECNR1
SCHEMBL13609948 0.88 CNR1 (0.34) SELLSELPSELEACHECNR1
SCHEMBL3692441 0.84 UGT2B17 (0.38) TDP1UGT2B17ALDH1A1GAAKDM4E
SCHEMBL16010045 0.83 GPR55 (0.47) ACHECNR1TDP1ALDH1A1GAA
SCHEMBL28221164 0.79 SELL (0.39) SELLSELPSELEACHECNR1
SCHEMBL5358900 0.78 CNR2 (0.50) SELLSELPSELEACHECNR1
SCHEMBL16010483 0.75 GPR55 (0.45) ACHECNR1GPR55CNR2HTR2B
SCHEMBL8004809 0.75 PSMB5 (0.44) UGT2B17GAALMNATAS1R3TAS1R1
SCHEMBL16018035 0.75 CYP3A4 (0.44) ACHEALDH1A1GAAGPR55KMT2A

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 SELL 4881/4885SELP 4867/4885SELE 4884/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 SELL 4880/4885SELP 4870/4885SELE 4884/4885

“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.