SCHEMBL1621085

SCHEMBL1621085

COC(=O)c1ccc(B(O)O)cc1OC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.47
POLB P06746 1/20 0.43
PDE4D Q08499 8/20 0.41
PDE4B Q07343 8/20 0.41
PDE4A P27815 7/20 0.41
PDE4C Q08493 7/20 0.41
HIF1A Q16665 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 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
SCHEMBL29958023 0.85 PDE4A (0.44) PDE4DPDE4BPDE4APDE4CMKNK1
SCHEMBL4585947 0.82 SCN9A (0.56)
SCHEMBL2889886 0.80 PDE4A (0.55) POLBPDE4DPDE4BPDE4APDE4C
SCHEMBL189207 0.78 KDM4E (0.46) POLBALDH1A1
SCHEMBL5704028 0.78 HIF1A (0.47) PDE5APOLBPDE4DPDE4BPDE4A
SCHEMBL27116164 0.78 PDE5A (0.48) PDE5APOLBPDE4DPDE4BPDE4A
SCHEMBL26984617 0.77 PDE4B (0.58) PDE4DPDE4BPDE4APDE4C
SCHEMBL26984344 0.77 PDE5A (0.47) PDE5APOLBPDE4DPDE4BPDE4A
SCHEMBL27172139 0.77 PDK2 (0.39) HIF1AALDH1A1TSHR
SCHEMBL9110483 0.76 CA1 (0.47) POLBALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928264-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2011-04-19 US disclosed
EP-1791811-B1 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC (JP) 2009-12-23 EP disclosed
US-7417060-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2008-08-26 US disclosed
US-20080039506-A1 Aminoalcohol Derivatives ASTELLAS PHARMA INC. (JP) 2008-02-14 US disclosed
EP-1791811-A1 AMINOALCOHOL DERIVATIVES Astellas Pharma Inc. (JP) 2007-06-06 EP disclosed
EP-1697301-A2 AMINOALCOHOL DERIVATIVES Astellas Pharma Inc. (JP) 2006-09-06 EP disclosed
WO-2006033446-A1 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2006-03-30 WO 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 (2 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 PDE5A 2146/4885POLB 1795/4885PDE4D 2545/4885
US-20080039506-A1 Aminoalcohol Derivatives HRH4, HRH2, CBR3 PDE5A 2658/4885POLB 2086/4885PDE4D 2467/4885

“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.