SCHEMBL2045384

SCHEMBL2045384

COC(=O)c1ccc2occc2c1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 6/20 0.63
CYP1B1 Q16678 5/20 0.63
CYP1A2 P05177 2/20 0.63
ABCB1 P08183 1/20 0.58
KCNA3 P22001 4/20 0.49
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
CYP3A4 P08684 3/20 0.44
HSD17B10 Q99714 3/20 0.44
ADORA3 P0DMS8 3/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
TSHR P16473 2/20 0.44
CYP2C19 P33261 2/20 0.44
PGR P06401 1/20 0.44
CYP2A6 P11509 1/20 0.44
KCNA2 P16389 1/20 0.44
MAOA P21397 1/20 0.44
PTPN1 P18031 1/20 0.44
HPGD P15428 5/20 0.43

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
SCHEMBL29639598 0.85 CYP1A1 (0.60) CYP1A1CYP1B1CYP1A2ABCB1KCNA3
SCHEMBL2047943 0.82 CYP1A1 (0.47) CYP1A1CYP1B1CYP1A2ABCB1KCNA3
SCHEMBL900826 0.78 CYP1A1 (1.00) CYP1A1CYP1B1CYP1A2ABCB1KCNA3
SCHEMBL29664148 0.78 CYP1A1 (1.00) CYP1A1CYP1B1CYP1A2ABCB1KCNA3
SCHEMBL826486 0.77 LMNA (0.46) CYP1A1CYP1B1CYP1A2ABCB1ALDH1A1
SCHEMBL6852879 0.76 CA1 (0.52) CYP1A2ALDH1A1KDM4EHSD17B10CYP2D6
SCHEMBL19783244 0.74 KCNA3 (0.55) CYP1A1CYP1B1CYP1A2ABCB1KCNA3
SCHEMBL31707548 0.74 CYP1A1 (0.67) CYP1A1CYP1B1CYP1A2ABCB1KCNA3
Pongamol SCHEMBL900825 0.74 CYP1A1 (1.00) CYP1A1CYP1B1CYP1A2ABCB1KCNA3
SCHEMBL643634 0.73 KDM4E (0.50) CYP1A1CYP1B1CYP1A2KCNA3ALDH1A1

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 CYP1A1 23/4885CYP1B1 30/4885CYP1A2 21/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 CYP1A1 39/4885CYP1B1 56/4885CYP1A2 29/4885

“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.