SCHEMBL2048547

SCHEMBL2048547

COc1ccc(C)c(Oc2nnc(Cl)cc2O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
MEN1 O00255 6/20 0.35
KMT2A Q03164 6/20 0.35
TDP1 Q9NUW8 3/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 2/20 0.35
THRB P10828 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
MCL1 Q07820 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
P2RX7 Q99572 1/20 0.34
NPC1 O15118 2/20 0.34

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
SCHEMBL2047981 0.87 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL2049817 0.84 NR1I2 (0.37) MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL2051523 0.84 TSHR (0.39) KMT2ATDP1ALDH1A1SMN1; SMN2CYP2C9
SCHEMBL2051527 0.83 LTA4H (0.44) MEN1KMT2AALDH1A1THRBSMN1; SMN2
SCHEMBL2049302 0.82 HTR2A (0.40) MEN1KMT2ATDP1ALDH1A1SMN1; SMN2
SCHEMBL2051060 0.82 F10 (0.35) MEN1KMT2ATDP1MAPTALDH1A1
SCHEMBL2049766 0.81 CASP1 (0.43) CA1CA2MEN1KMT2ATDP1
SCHEMBL2050330 0.79 ALDH1A1 (0.44) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL2047940 0.79 MEN1 (0.47) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL2047091 0.79 TRPA1 (0.46) TYR

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 CA12 4628/4885CA1 4294/4885CA2 1032/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 CA12 4043/4885CA1 3575/4885CA2 644/4885

“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.