SCHEMBL4363589

SCHEMBL4363589

COc1ccc2ccoc2c1OC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.46
PDE4A P27815 8/20 0.43
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
PDE4D Q08499 4/20 0.39
PDE4C Q08493 3/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
MAOA P21397 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2A6 P11509 1/20 0.38
TSHR P16473 1/20 0.38
ACHE P22303 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CYP2A13 Q16696 1/20 0.38

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
SCHEMBL4369467 0.81 PDE4B (0.53) PDE4BPDE4APDE4DPDE4CCYP1A2
SCHEMBL27499528 0.79 CYP1A2 (0.51) PDE4AADRA1DADRA1AADRA1BMAOA
SCHEMBL30879595 0.79 CYP1A2 (0.51) PDE4AADRA1DADRA1AADRA1BMAOA
SCHEMBL4365529 0.73 PDE4B (0.56) PDE4BPDE4APDE4DPDE4CMAPK1
SCHEMBL31207186 0.71 CYP3A4 (0.41) PDE4AADRA1DADRA1AADRA1BMAOA
SCHEMBL7445561 0.71 KMT2A (0.47) PDE4BPDE4APDE4DPDE4CMAPK1
SCHEMBL6876868 0.70 PDE4A (0.44) PDE4BPDE4APDE4DPDE4CKMT2A
SCHEMBL4375614 0.70 PDE4B (0.55) PDE4BPDE4APDE4DPDE4CKMT2A
SCHEMBL4364149 0.70 PDE4B (0.53) PDE4BPDE4APDE4DPDE4CKMT2A
SCHEMBL20064615 0.69 PDE4A (0.45) PDE4BPDE4APDE4DPDE4CSLC6A3

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-20090291950-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2009-11-26 US disclosed
WO-2008006052-A2 BICYCLIC HETEROARYL INHIBITORS OF PDE4 GOVEK STEVEN P (US) 2008-01-10 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-20090291950-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C PDE4B 2/4885PDE4A 1/4885ADRA1D 623/4885

“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.