SCHEMBL2045827

SCHEMBL2045827

Cc1c([O])cccc1C1CC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.48
PDK2 Q15119 5/20 0.40
PDK4 Q16654 4/20 0.40
HTR6 P50406 8/20 0.38
NOTUM Q6P988 1/20 0.37
PDK1 Q15118 1/20 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
SCHEMBL16956125 0.77 HTR2C (0.74) HTR2CPDK2PDK4HTR6
SCHEMBL2050443 0.77 HSD17B10 (0.43) HTR2CPDK2PDK4
SCHEMBL21163634 0.75 HTR2C (0.46) HTR2CPDK2PDK4HTR6
SCHEMBL930210 0.74 HTR2C (0.48) HTR2CPDK2PDK4NOTUM
SCHEMBL2044125 0.74 OPRL1 (0.37) HTR2CPDK2PDK4NOTUM
SCHEMBL23668202 0.74 HTR2C (0.48) HTR2CPDK2PDK4HTR6NOTUM
SCHEMBL13898705 0.74 HTR2C (0.48) HTR2CPDK2PDK4HTR6PDK1
SCHEMBL21388492 0.74 HTR2C (0.48) HTR2CHTR6
SCHEMBL2049706 0.74 HTR2C (0.48) HTR2CPDK2PDK4HTR6NOTUM
SCHEMBL19633961 0.74 HTR2C (0.48) HTR2CHTR6

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150336979-A1 ISOMANNIDE DERIVATIVES AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE SANOFI (FR) 2015-11-26 US 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
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 (3 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-20150336979-A1 ISOMANNIDE DERIVATIVES AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE EPHX1, EPHX2, NR1H2 HTR2C 3303/4885PDK2 1109/4885PDK4 1371/4885
US-20100041555-A1 3-Phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same CBR3, DDT, CBR1 HTR2C 434/4885PDK2 138/4885PDK4 216/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 HTR2C 634/4885PDK2 164/4885PDK4 154/4885

“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.