SCHEMBL4584962

SCHEMBL4584962

O=C(O)c1ccc(Br)cc1OC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
ADRB1 P08588 3/20 0.45
ADRB3 P13945 3/20 0.45
KMT2A Q03164 1/20 0.45
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
PTGDR Q13258 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
SLC6A4 P31645 1/20 0.43
MAOB P27338 1/20 0.43
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42

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
SCHEMBL31535446 0.95 SLC6A4 (0.44) PDE4APDE4BPDE4CPDE4DADRB1
SCHEMBL7420271 0.85 NPY1R (0.45) PDE4APDE4BPDE4CPDE4DPTGDR2
SCHEMBL11674721 0.82 ALDH1A1 (0.55) PDE4APDE4BPDE4CPDE4DADRB1
SCHEMBL21939128 0.80 GRIK1 (0.55) PDE4APDE4BPDE4CPDE4DADRB1
SCHEMBL29958023 0.79 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DADRB1
SCHEMBL26984344 0.79 PDE5A (0.47) PDE4APDE4BPDE4CPDE4DSLC6A4
SCHEMBL4584526 0.78 THRA (0.53) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL300806 0.78 EPHX2 (0.51) ADRB1ADRB3KMT2A
SCHEMBL10790302 0.78 EPHX2 (0.51) ADRB1ADRB3KMT2A
SCHEMBL10790141 0.78 EPHX2 (0.51) ADRB1ADRB3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100582088-C Aminoalcohol derivatives ASTELLAS PHARMA INC 2010-01-20 CN disclosed
US-7417060-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2008-08-26 US disclosed
CN-1906154-A Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2007-01-31 CN disclosed
EP-1697301-A2 AMINOALCOHOL DERIVATIVES Astellas Pharma Inc. (JP) 2006-09-06 EP disclosed
WO-2005061433-A2 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2005-07-07 WO disclosed
US-20050137236-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-23 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-20050137236-A1 Aminoalcohol derivatives GPR39, PRMT9, CHRM2 PDE4A 2790/4885PDE4B 2475/4885PDE4C 3386/4885

“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.