SCHEMBL12923596

SCHEMBL12923596

COc1ccc(N(C)C(=O)c2c(Cl)cncc2Cl)cc1OCC1CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 12/20 0.48
PDE4B Q07343 16/20 0.46
PDE4A P27815 10/20 0.46
PDE4C Q08493 10/20 0.46
ABCB11 O95342 1/20 0.44
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
RORC P51449 1/20 0.40

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
SCHEMBL12923593 0.82 PDE4B (0.58) PDE4DPDE4BPDE4APDE4C
SCHEMBL6876003 0.80 PDE4D (0.48) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL17207624 0.77 PDE4D (0.45) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL1027909 0.74 PDE4D (0.74) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL8007015 0.74 PDE4D (0.47) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL7359780 0.74 PDE4B (0.76) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL17207626 0.73 PDE4D (0.46) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL8006958 0.70 PDE4D (0.50) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL15763184 0.70 PDE4B (0.60) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL14458154 0.70 PDE4B (0.60) PDE4DPDE4BPDE4APDE4CABCB11

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-8445451-B2 Macrolides and uses of macrolides BASILEA PHARMACEUTICA AG (CH) 2013-05-21 US disclosed
US-8445451-B2 Macrolides and uses of macrolides BASILEA PHARMACEUTICA AG (CH) 2013-05-21 US disclosed
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2011-01-27 US disclosed
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2011-01-27 US 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-20110021449-A1 MACROLIDES AND USES OF MACROLIDES MRPS22, MRPS23, MRPL12 PDE4D 2679/4885PDE4B 2412/4885PDE4A 1873/4885

“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.