SCHEMBL2049600

SCHEMBL2049600

Cc1c(F)ccc(C2CC2)c1O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 4/20 0.36
ALOX5AP P20292 3/20 0.36
HTR2C P28335 2/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
OPRL1 P41146 1/20 0.34
HDAC4 P56524 2/20 0.33
HTR6 P50406 2/20 0.33
NOTUM Q6P988 1/20 0.33
TAAR1 Q96RJ0 2/20 0.32
CYP2D6 P10635 1/20 0.32
RPS6KA3 P51812 2/20 0.31
HTR1A P08908 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 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
SCHEMBL2049409 0.79 HTR2C (0.44) FEN1ALOX5APHTR2CNOTUMSLC6A3
SCHEMBL2049314 0.76 HTR2C (0.34) FEN1ALOX5APHTR2CCNR1CNR2
SCHEMBL2046789 0.76 ALDH1A1 (0.36) HTR2CTAS1R3TAS1R1TAS1R2HTR6
SCHEMBL19633961 0.75 HTR2C (0.48) HTR2CTAS1R3TAS1R1TAS1R2HDAC4
SCHEMBL2050920 0.75 ALB (0.41) FEN1ALOX5APOPRL1HTR1ASLC6A2
SCHEMBL2045068 0.73 CHRNB2 (0.40) HTR2C
SCHEMBL20909864 0.73 HTR2C (0.33) HTR2CTAS1R3TAS1R1TAS1R2OPRL1
SCHEMBL546258 0.73 ERN1 (0.39)
SCHEMBL18262865 0.72 ALDH1A1 (0.39) FEN1ALOX5APHTR2COPRL1NOTUM
SCHEMBL4609516 0.72 NUDT1 (0.40) FEN1ALOX5APHTR2CHDAC4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1543455-B 3-phenoxy-4-pyridazinol derivatives and herbicidal compositions containing the same SANKYO AGRO CO LTD 2012-07-11 CN disclosed
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
CN-1543455-A 3-phenoxy-4-pyridazinol derivatives and herbicidal compositions containing the same 三共农业株式会社 2004-11-03 CN 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 FEN1 4286/4885ALOX5AP 2631/4885HTR2C 434/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 FEN1 4423/4885ALOX5AP 2976/4885HTR2C 634/4885

“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.