SCHEMBL4584526

SCHEMBL4584526

O=C(O)Cc1ccc(Br)cc1OC1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.53
THRB P10828 3/20 0.53
PTGDR2 Q9Y5Y4 2/20 0.47
PTGDR Q13258 1/20 0.47
NPY1R P25929 1/20 0.45
NPY2R P49146 1/20 0.45
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 1/20 0.38
LNPEP Q9UIQ6 1/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 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
SCHEMBL27647596 0.83 NPY1R (0.44) THRATHRBPTGDR2PTGDRNPY1R
SCHEMBL4585924 0.82 NPY1R (0.49) THRATHRBPTGDR2PTGDRNPY1R
SCHEMBL31053234 0.82 NPY1R (0.44) THRATHRBNPY1RNPY2RPDE4A
SCHEMBL4585137 0.80 NPY1R (0.49) NPY1RNPY2RPDE4APDE4BPDE4C
SCHEMBL4584962 0.78 PDE4A (0.46) THRATHRBPTGDR2PTGDRNPY1R
SCHEMBL20562112 0.78 NPY1R (0.42) NPY1RNPY2RPDE4APDE4BPDE4C
SCHEMBL4585621 0.76 NPY1R (0.46) PTGDR2PTGDRNPY1RNPY2RPDE4A
SCHEMBL22066839 0.75 SRC (0.49) PTGDR2KMT2ASMN1; SMN2MEN1
SCHEMBL27778858 0.75 NPY1R (0.54) THRATHRBPTGDR2PTGDRNPY1R
SCHEMBL24329571 0.74 NPY1R (0.46) NPY1RNPY2RKMT2ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417060-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2008-08-26 US 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 THRA 3079/4885THRB 3423/4885PTGDR2 340/4885

“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.