SCHEMBL129403

SCHEMBL129403

CC1(C)OB(c2ccc(OC(F)F)c(OCC3CC3)c2)OC1(C)C

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.50
PDE4D Q08499 13/20 0.50
PDE4A P27815 9/20 0.50
PDE4C Q08493 9/20 0.50
ABCB11 O95342 1/20 0.41
PDE5A O76074 1/20 0.39
PDE1C Q14123 1/20 0.39

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
SCHEMBL127821 0.85 FPR2 (0.43) PDE4BPDE4DPDE4APDE4C
SCHEMBL1330907 0.83 ROCK1 (0.41)
SCHEMBL129404 0.83 PDE4D (0.41) PDE4BPDE4DPDE4APDE4C
SCHEMBL21823354 0.81 LPL (0.41) PDE4BPDE4D
SCHEMBL23364583 0.81 AAK1 (0.38) PDE4BPDE4DPDE4APDE4C
SCHEMBL29932712 0.81 AAK1 (0.38) PDE4BPDE4DPDE4APDE4C
SCHEMBL129660 0.81 PDE4D (0.45) PDE4BPDE4DPDE4APDE4C
SCHEMBL23484642 0.81 TRPA1 (0.39)
SCHEMBL22816088 0.80 HTR2C (0.38)
SCHEMBL2408634 0.79 CSF1R (0.42) PDE4BPDE4DPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116354992-A PDE4 inhibitor and application thereof in medicines 广东东阳光药业有限公司 2023-06-30 CN disclosed
CN-113563245-A Substituted pyrrolidine compounds and application thereof in medicines 广东东阳光药业有限公司 2021-10-29 CN disclosed
CN-113563244-A Substituted aza five-membered ring compound and application thereof in medicine 广东东阳光药业有限公司 2021-10-29 CN 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 (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-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 PDE4B 3261/4885PDE4D 3827/4885PDE4A 3035/4885

“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.