SCHEMBL2049684

SCHEMBL2049684

Oc1ccccc1C1(C2CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
EGFR P00533 2/20 0.39
CA2 P00918 2/20 0.39
LMNA P02545 2/20 0.39
FYN P06241 2/20 0.39
MMP9 P14780 2/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 2/20 0.39
RECQL P46063 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
CA12 O43570 1/20 0.39
GMNN O75496 1/20 0.39
POLB P06746 1/20 0.39
CA3 P07451 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL3452323 0.76 HTR2A (0.40) ALDH1A1KDM1AMAOB
SCHEMBL18297316 0.76 KDM1A (0.38) ALDH1A1ALOX15SMN1; SMN2KDM4ECYP3A4
SCHEMBL13004772 0.73 SLC6A2 (0.49) OPRM1
SCHEMBL10388099 0.73 ALDH1A1 (0.39) ALDH1A1EGFRCA2LMNAFYN
SCHEMBL498559 0.71 SLC6A2 (0.46) OPRK1OPRM1MAOB
SCHEMBL22755235 0.71 SLC6A2 (0.50) CYP3A4
SCHEMBL6672277 0.71 KMT2A (0.39) ALDH1A1EGFRCA2LMNAFYN
SCHEMBL2589110 0.71 SLC6A2 (0.47)
SCHEMBL10514967 0.70 ALDH1A1 (0.47) ALDH1A1EGFRCA2LMNAFYN
SCHEMBL9327102 0.70 ALDH1A1 (0.47) ALDH1A1EGFRCA2LMNAFYN

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 ALDH1A1 447/4885EGFR 2338/4885CA2 1032/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 ALDH1A1 762/4885EGFR 1380/4885CA2 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.