SCHEMBL2050223

SCHEMBL2050223

C=C(C)Cc1cccc(Cl)c1O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.47
▸ EGFR P00533 6/20 0.39
▸ ERBB2 P04626 5/20 0.39
▸ GABRA1 P14867 2/20 0.39
▸ GABRB2 P47870 2/20 0.39
▸ CA1 P00915 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ TAAR1 Q96RJ0 2/20 0.37
▸ PNMT P11086 1/20 0.36
▸ SHBG P04278 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ ALOX12 P18054 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ AKR1B1 P15121 1/20 0.34
▸ HTR3E A5X5Y0 1/20 0.33
▸ HTR3B O95264 1/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ HTR3D Q70Z44 1/20 0.33
▸ HTR3C Q8WXA8 1/20 0.33

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
SCHEMBL11061615 0.86 GABRA1 (0.52) EGFRGABRA1GABRB2CA1TAAR1
SCHEMBL13689952 0.82 PKM (0.53) TAAR1PNMTSHBGPKMHTR3E
SCHEMBL10907778 0.81 IAPP (0.46) HSP90AA1EGFRERBB2GABRA1GABRB2
SCHEMBL1258491 0.80 GABRA1 (0.52) GABRA1GABRB2AKR1B1
SCHEMBL8389267 0.80 IAPP (0.52) EGFRGABRA1GABRB2CA1TAAR1
SCHEMBL5785094 0.78 ALDH1A1 (0.50) EGFRERBB2GABRA1GABRB2CA1
SCHEMBL20906311 0.78 GABRA1 (0.45) GABRA1GABRB2PKMALOX12TSHR
SCHEMBL19510859 0.77 GABRA1 (0.39) GABRA1GABRB2TAAR1
SCHEMBL19030702 0.77 TSHR (0.37) TSHR
SCHEMBL10735838 0.77 EGFR (0.39) EGFRERBB2GABRA1GABRB2ACHE

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 14 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
US-4647677-A Process for preparing 2,3-dihydro-7-aminobenzofurans MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1987-03-03 — — US disclosed
US-4594438-A Dehydrohalogenation heating of 2,2,6-tri-halo-6-(1-halisobutyl)cyclohexanone MITSUBISHI CHEMICAL INDUSTRIES, LTD. (JP) 1986-06-10 — — US disclosed
EP-0090976-B1 2,2-DIHALO-6-HALO-6(1-HALOISOBUTYL)CYCLOHEXANONE MITSUBISHI KASEI CORPORATION (JP) 1985-12-11 — — EP disclosed
US-4499306-A HALOGENATION OF 2-ISOBUTYLIDENE CYCLOHEXANONE IN PRESENCE OF CATALST MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1985-02-12 — — US disclosed
EP-0090976-A2 2,2-Dihalo-6-halo-6(1-haloisobutyl)cyclohexanone MITSUBISHI KASEI CORPORATION (JP) 1983-10-12 — — 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 HSP90AA1 2317/4885EGFR 2338/4885ERBB2 451/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 HSP90AA1 2576/4885EGFR 1380/4885ERBB2 192/4885

“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.

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