SCHEMBL2881470

SCHEMBL2881470

COc1cc2c(cc1OC)[C@@H]1CCCC[C@@H]1N=C2c1ccc(C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 14/20 0.51
PDE4B Q07343 14/20 0.51
PDE4A P27815 8/20 0.51
PDE4C Q08493 8/20 0.51
CHEK1 O14757 1/20 0.42
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA7 P43166 1/20 0.40
TPMT P51580 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ATM Q13315 1/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL2881473 1.00 PDE4D (0.51) PDE4DPDE4BPDE4APDE4CCHEK1
SCHEMBL2881474 1.00 PDE4D (0.51) PDE4DPDE4BPDE4APDE4CCHEK1
Hydrochloric Acid SCHEMBL2887523 0.99 PDE4D (0.51) PDE4DPDE4BPDE4APDE4CCHEK1
Hydrochloric Acid SCHEMBL2887518 0.99 PDE4D (0.51) PDE4DPDE4BPDE4APDE4CCHEK1
Hydrochloric Acid SCHEMBL2887521 0.99 PDE4D (0.51) PDE4DPDE4BPDE4APDE4CCHEK1
SCHEMBL2887001 0.92 PDE4D (0.51) PDE4DPDE4BPDE4APDE4C
SCHEMBL2887955 0.91 PDE4B (0.49) PDE4DPDE4BPDE4APDE4C
SCHEMBL2887949 0.91 PDE4B (0.49) PDE4DPDE4BPDE4APDE4C
SCHEMBL2887953 0.91 PDE4B (0.49) PDE4DPDE4BPDE4APDE4C
SCHEMBL5056368 0.91 PDE4D (0.50) PDE4DPDE4BPDE4APDE4CATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776893-B2 Use of PDE4 inhibitors for the treatment of diabetes mellitus NYCOMED GMBH (DE) 2010-08-17 US disclosed
US-20060281745-A1 Use of pde4 inhibitors for the treatment of diabetes mellitus ALTANA PHARMA AG (DE) 2006-12-14 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-20060281745-A1 Use of pde4 inhibitors for the treatment of diabetes mellitus PDE4A, PDE4B, PDE12 PDE4D 4/4885PDE4B 2/4885PDE4A 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.