SCHEMBL4422871

SCHEMBL4422871

[CH2]c1ccc(OCC2CC2)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.44
PDE4D Q08499 5/20 0.44
PDE4A P27815 3/20 0.44
PDE4C Q08493 3/20 0.44
RIPK1 Q13546 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
SCHEMBL6746286 0.86 PARP15 (0.50) PDE4BPDE4DPDE4APDE4C
SCHEMBL14220730 0.81 ACHE (0.57) PDE4BPDE4DPDE4APDE4C
SCHEMBL16872415 0.81 HTR2A (0.54) PDE4BPDE4DPDE4APDE4CRIPK1
SCHEMBL7792984 0.81 PDE4B (0.50) PDE4BPDE4DPDE4APDE4C
SCHEMBL6748767 0.78 APOBEC3G (0.46)
SCHEMBL745569 0.78 KMO (0.47)
SCHEMBL356412 0.77 KDM4E (0.59) PDE4BPDE4DPDE4APDE4C
SCHEMBL29993440 0.77 CHRNB4 (0.58) PDE4BPDE4DPDE4APDE4CRIPK1
SCHEMBL28324572 0.77 CHRNB4 (0.58) PDE4BPDE4DPDE4APDE4CRIPK1
SCHEMBL637014 0.76 FDPS (0.67) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082394-A1 Tetrahydroisoquinoline Derivatives to Enhance Memory Function ACTELION PHARMACEUTICALS, LTD. (CH) 2009-03-26 US disclosed
EP-1998774-A1 TETRAHYDROISOQUINOLINE DERIVATIVES TO ENHANCE MEMORY FUNCTION Actelion Pharmaceuticals Ltd. (CH) 2008-12-10 EP disclosed
WO-2007105177-A1 TETRAHYDROISOQUINOLINE DERIVATIVES TO ENHANCE MEMORY FUNCTION ACTELION PHARMACEUTICALS LTD (CH) 2007-09-20 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-20090082394-A1 Tetrahydroisoquinoline Derivatives to Enhance Memory Function GRIN2A, BDNF, GRIN2C PDE4B 260/4885PDE4D 266/4885PDE4A 285/4885

“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.