SCHEMBL3452932

SCHEMBL3452932

COc1ccc(C(=O)CC(C)(C)C(=O)O)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA4 P22748 1/20 0.59
CA6 P23280 1/20 0.59
CA7 P43166 1/20 0.59
TPMT P51580 1/20 0.59
CA9 Q16790 1/20 0.59
CA14 Q9ULX7 1/20 0.59
TSHR P16473 4/20 0.56
MAPT P10636 4/20 0.56
CTNNB1 P35222 2/20 0.56
WNT3A P56704 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
ALDH1A1 P00352 4/20 0.55
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52

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
SCHEMBL30808254 0.86 PDE4D (0.46) CA12CA1CA2CA4CA6
SCHEMBL21821482 0.86 PDE4D (0.46) CA12CA1CA2CA4CA6
SCHEMBL20529113 0.86 HTT (0.46) CA12CA1CA2CA4CA6
SCHEMBL3451634 0.83 CA12 (0.54) CA12CA1CA2CA4CA6
SCHEMBL10455919 0.79 CTNNB1 (0.83) CA12CA1CA2CA4CA6
SCHEMBL1659363 0.79 MAPT (0.71) CA12CA1CA2CA4CA6
SCHEMBL4098160 0.79 SRD5A2 (0.44) CA12CA1CA2CA4CA6
SCHEMBL30629388 0.78 CA12 (0.65) CA12CA1CA2CA4CA6
SCHEMBL4438295 0.78 CA12 (0.65) CA12CA1CA2CA4CA6
SCHEMBL515746 0.78 MEN1 (0.73) CA12CA1CA2CA4CA6

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-7820669-B2 2-(piperidin-4-yl)-4,5-dihydro-2H-pyridazin-3-one derivatives as PDE4 inhibitors NYCOMED GMBH (DE) 2010-10-26 US disclosed
US-20090131448-A1 2-(Piperidin-4-yl)-4,5-dihydro-2h-pyridazin-3-one derivatives as pde4 inhibitors NYCOMED GMBH (DE) 2009-05-21 US disclosed
US-7494990-B2 2-(piperidin-4-yl)-4,5-dihydro-2H-pyridazin-3-one derivatives as PDE4 inhibitors NYCOMED GMBH (DE) 2009-02-24 US disclosed
US-20080227790-A1 Pyridazinone Derivatives and their Use as Pde4 Inhibitors ALTANA PHARMA AG (DE) 2008-09-18 US disclosed
EP-1716133-B1 2-(PIPERIDIN-4-YL)-4,5-DIHYDRO-2H-PYRIDAZIN-3-ONE DERIVATIVES AS PDE4 INHIBITORS NYCOMED GMBH (DE) 2008-03-26 EP disclosed
US-20070179146-A1 2-(Piperidin-4-yl)-4,5-dihydro-2h-pyridazin-3-one derivatives as pde4 inhibitors ATLANTA PHARMA AG (DE) 2007-08-02 US disclosed
EP-1716133-A1 2-(PIPERIDIN-4-YL)-4,5-DIHYDRO-2H-PYRIDAZIN-3-ONE DERIVATIVES AS PDE4 INHIBITORS Altana Pharma AG (DE) 2006-11-02 EP disclosed
WO-2005075456-A1 2-(PIPERIDIN-4-YL) -4, 5-DIHYDRO-2H-PYRIDAZIN-3-ONE DERIVATIVES AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2005-08-18 WO 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-20090131448-A1 2-(Piperidin-4-yl)-4,5-dihydro-2h-pyridazin-3-one derivatives as pde4 inhibitors PDE4A, PDE4B, PDE4D CA12 4685/4885CA1 4313/4885CA2 1020/4885
US-20070179146-A1 2-(Piperidin-4-yl)-4,5-dihydro-2h-pyridazin-3-one derivatives as pde4 inhibitors PDE4A, PDE4B, PDE4D CA12 4658/4885CA1 4275/4885CA2 939/4885
US-20080227790-A1 Pyridazinone Derivatives and their Use as Pde4 Inhibitors PDE4A, PDE4B, PDE5A CA12 4765/4885CA1 4625/4885CA2 2259/4885

“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.