SCHEMBL6030779

SCHEMBL6030779

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA4 P22748 1/20 0.57
CA6 P23280 1/20 0.57
CA7 P43166 1/20 0.57
TPMT P51580 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
TSHR P16473 4/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
SLC6A4 P31645 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 2/20 0.48
CTNNB1 P35222 1/20 0.48
WNT3A P56704 1/20 0.48

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
SCHEMBL2843396 0.87 HTT (0.60) CA12CA1CA2CA4CA6
SCHEMBL22060049 0.84 TSHR (0.58) CA12CA1CA2CA4CA6
SCHEMBL10335852 0.80 TSHR (0.66) CA12CA1CA2CA4CA6
SCHEMBL10764969 0.80 TSHR (0.66) CA12CA1CA2CA4CA6
SCHEMBL758674 0.80 TSHR (0.66) CA12CA1CA2CA4CA6
SCHEMBL10601731 0.80 TSHR (0.66) CA12CA1CA2CA4CA6
SCHEMBL10353455 0.79 HDAC3 (0.49) MAPTALDH1A1
SCHEMBL25666938 0.79 SLC6A4 (0.55) CA12CA1CA2CA4CA6
SCHEMBL8213432 0.79 ALDH1A1 (0.54) CA1CA2CYP1A2MEN1KMT2A
SCHEMBL9036333 0.78 TSHR (0.63) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1556369-A1 PYRIDAZINONE-DERIVATIVES 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
WO-2004018451-A1 PYRIDAZINONE-DERIVATIVES 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 (1 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 CA12 4223/4885CA1 3270/4885CA2 770/4885

“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.