SCHEMBL129694

SCHEMBL129694

COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1OC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 0.52
PDE4B Q07343 13/20 0.46
PDE4C Q08493 11/20 0.46
PDE4D Q08499 11/20 0.46
POLB P06746 1/20 0.44
FPR2 P25090 1/20 0.43

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
SCHEMBL129705 0.97 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL127954 0.94 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL21918854 0.88 FPR2 (0.43) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL24930071 0.84 PDE4A (0.37) PDE4APDE4BPDE4CPDE4D
SCHEMBL22816386 0.84 CSNK2A1 (0.39) PDE4A
SCHEMBL21918845 0.84 PDE4B (0.46) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL129660 0.83 PDE4D (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL23123353 0.83 PDE4B (0.41) PDE4APDE4BPDE4CPDE4D
SCHEMBL22816154 0.83 CSNK2A1 (0.38) PDE4A
SCHEMBL25203373 0.82 CSF1R (0.48)

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-20230148402-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2023-05-11 US disclosed
US-20230148402-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2023-05-11 US disclosed
US-10946031-B2 PDE4 inhibitor (R)-4-(5-(4-methoxy-3-propoxyphenyl)pyridin-3-yl)-1,2-oxaborolan-2-ol PFIZER INC. (US) 2021-03-16 US disclosed
US-20200108083-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2020-04-09 US disclosed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 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 (4 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-20200108083-A1 Boron Containing PDE4 Inhibitors PDE4B, PDE4A, PDE3B PDE4A 2/4885PDE4B 1/4885PDE4C 6/4885
US-20230148402-A1 Boron Containing PDE4 Inhibitors PDE4B, PDE4A, PDE3B PDE4A 2/4885PDE4B 1/4885PDE4C 6/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 PDE4A 3035/4885PDE4B 3261/4885PDE4C 2846/4885
US-10946031-B2 PDE4 inhibitor (R)-4-(5-(4-methoxy-3-propoxyphenyl)pyridin-3-yl)-1,2-oxaborolan-2-ol PDE4A, PDE4B, PDE12 PDE4A 1/4885PDE4B 2/4885PDE4C 8/4885

“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.