SCHEMBL6031384

SCHEMBL6031384

COc1ccc(C(=O)CCC(=O)O)c2c1OC(C)(C)C2

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.51
KDM4E B2RXH2 2/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HSP90AA1 P07900 2/20 0.38
KMT2A Q03164 1/20 0.38
STING1 Q86WV6 2/20 0.38
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL7360407 0.85 FFAR4 (0.46) FFAR4KDM4ECASP1CASP7NPC1
SCHEMBL3452752 0.84 FFAR4 (0.46) FFAR4KDM4ECASP1CASP7NPC1
SCHEMBL5722811 0.82 KDM4E (0.54) FFAR4KDM4ECASP1CASP7NPC1
SCHEMBL8068920 0.81 FFAR4 (0.43) FFAR4KDM4ECASP1CASP7NPC1
SCHEMBL183890 0.81 FFAR4 (0.44) FFAR4KDM4ECASP1CASP7NPC1
SCHEMBL5723240 0.81 MAPT (0.52) FFAR4KDM4EHTTNPC1RAB9A
SCHEMBL9928248 0.79 FFAR4 (0.42) FFAR4KDM4ECASP1CASP7HTT
SCHEMBL5723155 0.78 HSP90AA1 (0.44) FFAR4HTTNPC1RAB9ALMNA
SCHEMBL7360394 0.77 FFAR4 (0.46) FFAR4KDM4ECASP1CASP7NPC1
SCHEMBL8940054 0.77 FFAR4 (0.44) FFAR4KDM4ECASP1CASP7NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060167001-A1 Pyridazinone-derivatives as pde4 inhibitors ALTANA PHARMA AG (DE) 2006-07-27 US disclosed
US-20060094710-A1 Piperidine-pyridazones and phthalazones as pde4 inhibitors ALTANA PHARMA AG (DE) 2006-05-04 US disclosed
EP-1556049-A1 PIPERIDINE-PYRIDAZONES AND PHTHALAZONES AS PDE4 INHIBITORS ALTANA Pharma AG (DE) 2005-07-27 EP disclosed
WO-2004017974-A1 PIPERIDINE-PYRIDAZONES AND PHTHALAZONES AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2004-03-04 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 (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-20060094710-A1 Piperidine-pyridazones and phthalazones as pde4 inhibitors PDE4A, PDE4B, PDE3A FFAR4 657/4885KDM4E 158/4885CASP1 736/4885
US-20060167001-A1 Pyridazinone-derivatives as pde4 inhibitors PDE4A, PDE3A, PDE4B FFAR4 870/4885KDM4E 499/4885CASP1 1490/4885

“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.