SCHEMBL8006958

SCHEMBL8006958

COc1ccc(NCc2c(Cl)cncc2Cl)cc1OCC1CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 12/20 0.50
PDE4B Q07343 12/20 0.47
PDE4A P27815 10/20 0.47
PDE4C Q08493 10/20 0.47
EPHA2 P29317 3/20 0.46
KDR P35968 3/20 0.46
EPHB4 P54760 3/20 0.46
ERBB2 P04626 1/20 0.46
ABCB11 O95342 1/20 0.43
IDH1 O75874 3/20 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
SCHEMBL1009756 0.85 PDE4D (0.53) PDE4D
SCHEMBL986720 0.84 PDE4D (0.44) PDE4DPDE4BPDE4APDE4C
SCHEMBL3122756 0.82 PDE4B (0.45) PDE4DPDE4BPDE4APDE4CEPHA2
SCHEMBL984917 0.81 PDE4D (0.57) PDE4DPDE4BPDE4APDE4C
SCHEMBL986983 0.81 PDE4D (0.43) PDE4DPDE4BPDE4APDE4C
SCHEMBL986982 0.81 PDE4D (0.43) PDE4DPDE4BPDE4APDE4CIDH1
SCHEMBL3118081 0.81 PDE4B (0.41) PDE4DPDE4BPDE4APDE4CEPHA2
SCHEMBL3132677 0.80 PDE4B (0.41) PDE4DPDE4BPDE4APDE4CEPHA2
SCHEMBL6876003 0.77 PDE4D (0.48) PDE4DPDE4BPDE4APDE4CEPHA2
SCHEMBL15763184 0.76 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410065-B2 Macrolides and their use BASILEA PHARMACEUTICA AG (CH) 2013-04-02 US disclosed
US-8410065-B2 Macrolides and their use BASILEA PHARMACEUTICA AG (CH) 2013-04-02 US disclosed
US-20110053876-A1 MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2011-03-03 US disclosed
US-20110053876-A1 MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2011-03-03 US disclosed
WO-2009106419-A1 NEW MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2009-09-03 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-20110053876-A1 MACROLIDES AND THEIR USE PDE4A, PDE12, PDE4B PDE4D 6/4885PDE4B 3/4885PDE4A 1/4885

“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.