SCHEMBL2049409

SCHEMBL2049409

Cc1ccc(C2CC2)c(O)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.44
TRPA1 O75762 2/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 1/20 0.37
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ESR2 Q92731 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32
GPR35 Q9HC97 1/20 0.32
MAP3K14 Q99558 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
SCHEMBL2049314 0.79 HTR2C (0.34) HTR2CALDH1A1KDM4EMEN1KMT2A
SCHEMBL2046789 0.79 ALDH1A1 (0.36) HTR2CALDH1A1POLBSLC6A3
SCHEMBL2049600 0.79 FEN1 (0.36) HTR2CCNR1CNR2ALOX5APFEN1
SCHEMBL930208 0.78 ALDH1A1 (0.54) HTR2CTRPA1ATMALDH1A1KDM4E
SCHEMBL20036789 0.77 ALDH1A1 (0.41) HTR2CTRPA1ALDH1A1ALOX5APFEN1
SCHEMBL2045068 0.76 CHRNB2 (0.40) HTR2CALDH1A1KDM4EMEN1ALOX15
SCHEMBL4609516 0.75 NUDT1 (0.40) HTR2CTRPA1ATMALOX5APFEN1
SCHEMBL18262865 0.75 ALDH1A1 (0.39) HTR2CTRPA1ALDH1A1ALOX5APFEN1
SCHEMBL23854308 0.75 ADRA2A (0.41) HTR2CTRPA1ALDH1A1KDM4EMEN1
SCHEMBL6361815 0.75 FEN1 (0.37) HTR2CALDH1A1CNR1CNR2ALOX5AP

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 HTR2C 434/4885TRPA1 700/4885ATM 2966/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 HTR2C 634/4885TRPA1 752/4885ATM 2750/4885

“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.