SCHEMBL17609337

SCHEMBL17609337

O=Cc1ccc(Br)cc1OC1COC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.39
CYP2A6 P11509 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
POLB P06746 1/20 0.35
PTPN1 P18031 1/20 0.35
SLC6A4 P31645 3/20 0.35
HTR6 P50406 1/20 0.35
ALDH1A1 P00352 1/20 0.33
PDE4B Q07343 1/20 0.33

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
SCHEMBL29333351 0.85 POLB (0.47) ERN1CYP2A6PTGDR2POLBSLC6A4
SCHEMBL22123468 0.77 ALDH1A1 (0.48) ERN1PTGDR2ALDH1A1
SCHEMBL22090818 0.77 PTGDR2 (0.43) ERN1CYP2A6PTGDR2POLBSLC6A4
SCHEMBL27890878 0.76 ERN1 (0.48) ERN1CYP2A6PTGDR2PTPN1ALDH1A1
SCHEMBL30829459 0.76 SLC6A4 (0.40) SLC6A4HTR6
SCHEMBL20214521 0.76 SLC6A4 (0.40) SLC6A4HTR6
SCHEMBL29333372 0.74 ERN1 (0.38) ERN1CYP2A6PTGDR2POLBPTPN1
SCHEMBL29333375 0.74 ERN1 (0.38) ERN1CYP2A6PTGDR2POLBPTPN1
SCHEMBL21823031 0.74 ERN1 (0.38) ERN1PTGDR2SLC6A4ALDH1A1
SCHEMBL275132 0.73 PTGDR2 (0.44) ERN1CYP2A6PTGDR2POLBPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10472350-B2 Soluble guanylate cyclase activators and their use GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-11-12 US disclosed
US-10472350-B2 Soluble guanylate cyclase activators and their use GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-11-12 US disclosed
US-20180194756-A1 NOVEL SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND THEIR USE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-07-12 US disclosed
US-20180194756-A1 NOVEL SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND THEIR USE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-07-12 US disclosed
US-20180194756-A1 NOVEL SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND THEIR USE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-07-12 US disclosed
US-9938260-B2 Soluble guanylate cyclase activators and their use GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-10 US disclosed
US-9938260-B2 Soluble guanylate cyclase activators and their use GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-10 US disclosed
US-9938260-B2 Soluble guanylate cyclase activators and their use GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-10 US disclosed
US-20170305888-A1 NOVEL SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND THEIR USE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-26 US disclosed
US-20170305888-A1 NOVEL SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND THEIR USE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-26 US disclosed
US-20170305888-A1 NOVEL SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND THEIR USE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-26 US disclosed
EP-3194384-A1 NOVEL SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND THEIR USE GlaxoSmithKline Intellectual Property Development Limited (GB) 2017-07-26 EP disclosed
WO-2016042536-A1 NOVEL SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND THEIR USE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-03-24 WO disclosed
WO-2016042536-A1 NOVEL SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND THEIR USE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-03-24 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 (3 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-20170305888-A1 NOVEL SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND THEIR USE GUCY1A2, GUCY1A1, GUCY1B1 ERN1 3211/4885CYP2A6 4197/4885PTGDR2 191/4885
US-10472350-B2 Soluble guanylate cyclase activators and their use GUCY1A2, GUCY1A1, GUCY1B2 ERN1 3336/4885CYP2A6 4048/4885PTGDR2 167/4885
US-20180194756-A1 NOVEL SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND THEIR USE GUCY1A2, GUCY1A1, GUCY1B1 ERN1 3211/4885CYP2A6 4197/4885PTGDR2 191/4885

“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.