SCHEMBL2955012

SCHEMBL2955012

CCOC(=O)c1cccc(Cc2cc(Cl)ccc2O)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.55
PTGER1 P34995 14/20 0.49
MRGPRX4 Q96LA9 1/20 0.48
CYP2C9 P11712 4/20 0.47
MAPT P10636 2/20 0.46
TBXA2R P21731 2/20 0.46
PTGS1 P23219 2/20 0.46
CYP2C19 P33261 2/20 0.46
PTGER3 P43115 2/20 0.46
PTGER2 P43116 2/20 0.46
MEN1 O00255 1/20 0.45
SLC22A1 O15245 1/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
HSP90AA1 P07900 1/20 0.45
CYP3A4 P08684 1/20 0.45
HSPD1 P10809 1/20 0.45
HSPA5 P11021 1/20 0.45
IDO1 P14902 1/20 0.45
HPGD P15428 1/20 0.45

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
Acetone SCHEMBL27709152 0.98 CYP1A2 (0.52) CYP1A2PTGER1MRGPRX4CYP2C9MAPT
SCHEMBL3212344 0.86 PTGER1 (0.55) CYP1A2PTGER1MRGPRX4CYP2C9TBXA2R
SCHEMBL14397613 0.86 CYP1A2 (0.52) CYP1A2PTGER1MRGPRX4CYP2C9MAPT
SCHEMBL13902814 0.85 PTGER1 (0.50) CYP1A2PTGER1CYP2C9MAPTTBXA2R
SCHEMBL3214226 0.84 CYP1A2 (0.50) CYP1A2PTGER1MRGPRX4CYP2C9MAPT
SCHEMBL2962415 0.83 PTGER1 (0.58) CYP1A2PTGER1MRGPRX4CYP2C9TBXA2R
SCHEMBL13902801 0.82 PTGER1 (0.54) CYP1A2PTGER1MRGPRX4CYP2C9MAPT
SCHEMBL2956473 0.82 PTGER1 (0.62) CYP1A2PTGER1MRGPRX4CYP2C9MAPT
SCHEMBL13902798 0.81 PTGER1 (0.50) CYP1A2PTGER1CYP2C9TBXA2RPTGS1
SCHEMBL2954555 0.81 PTGER1 (0.77) CYP1A2PTGER1CYP2C9TBXA2RPTGS1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759369-B2 Pyridine compounds for the treatment of prostaglandin mediated diseases GLAXO GROUP LIMITED (GB) 2010-07-20 US disclosed
US-7759369-B2 Pyridine compounds for the treatment of prostaglandin mediated diseases GLAXO GROUP LIMITED (GB) 2010-07-20 US disclosed
US-7759369-B2 Pyridine compounds for the treatment of prostaglandin mediated diseases GLAXO GROUP LIMITED (GB) 2010-07-20 US disclosed
US-20100137378-A1 Pyridine Compounds For The Treatment Of Prostaglandin Mediated Diseases GLAXO GROUP LIMITED (GB) 2010-06-03 US disclosed
US-20100137378-A1 Pyridine Compounds For The Treatment Of Prostaglandin Mediated Diseases GLAXO GROUP LIMITED (GB) 2010-06-03 US disclosed
US-20100137378-A1 Pyridine Compounds For The Treatment Of Prostaglandin Mediated Diseases GLAXO GROUP LIMITED (GB) 2010-06-03 US disclosed
US-20100056527-A1 BENZOFURAN COMPOUNDS USEFUL IN THE TREATMENT OF CONDITIONS MEDIATED BY THE ACTION OF PGE2 AT THE EP1 RECEPTOR GLAXO GROUP LIMITED 2010-03-04 US disclosed
US-20100056527-A1 BENZOFURAN COMPOUNDS USEFUL IN THE TREATMENT OF CONDITIONS MEDIATED BY THE ACTION OF PGE2 AT THE EP1 RECEPTOR GLAXO GROUP LIMITED 2010-03-04 US disclosed
US-20100056527-A1 BENZOFURAN COMPOUNDS USEFUL IN THE TREATMENT OF CONDITIONS MEDIATED BY THE ACTION OF PGE2 AT THE EP1 RECEPTOR GLAXO GROUP LIMITED 2010-03-04 US disclosed
EP-2129670-A2 BENZOFURAN COMPOUNDS USEFUL IN THE TREATMENT OF CONDITIONS MEDIATED BY THE ACTION OF PGE2 AT THE EP1 RECEPTOR Glaxo Group Limited (GB) 2009-12-09 EP disclosed
US-20080249138-A1 Pyridine Compounds For The Treatment Of Prostaglandin Mediated Diseases MARTIN PAUL GIBLIN GERARD 2008-10-09 US disclosed
US-20080249138-A1 Pyridine Compounds For The Treatment Of Prostaglandin Mediated Diseases MARTIN PAUL GIBLIN GERARD 2008-10-09 US disclosed
US-20080249138-A1 Pyridine Compounds For The Treatment Of Prostaglandin Mediated Diseases MARTIN PAUL GIBLIN GERARD 2008-10-09 US disclosed
WO-2008098978-A2 BENZOFURAN COMPOUNDS USEFUL IN THE TREATMENT OF CONDITIONS MEDIATED BY THE ACTION OF PGE2 AT THE EP1 RECEPTOR GLAXO GROUP LIMITED (GB) 2008-08-21 WO disclosed
WO-2008098978-A2 BENZOFURAN COMPOUNDS USEFUL IN THE TREATMENT OF CONDITIONS MEDIATED BY THE ACTION OF PGE2 AT THE EP1 RECEPTOR GLAXO GROUP LIMITED (GB) 2008-08-21 WO disclosed
CN-101128430-A Pyridine compounds for the treatment of prostaglandin mediated diseases GLAXO GROUP LTD (GB) 2008-02-20 CN disclosed
WO-2007113289-A1 BENZOFURAN COMPOUNDS AS EP1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-10-11 WO disclosed
WO-2007113289-A1 BENZOFURAN COMPOUNDS AS EP1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-10-11 WO disclosed
EP-1833795-A1 PYRIDINE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2007-09-19 EP disclosed
WO-2006066968-A1 PYRIDINE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2006-06-29 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-20100137378-A1 Pyridine Compounds For The Treatment Of Prostaglandin Mediated Diseases PTGER1, PTGDR, PTGER2 CYP1A2 241/4885PTGER1 1/4885MRGPRX4 25/4885
US-20080249138-A1 Pyridine Compounds For The Treatment Of Prostaglandin Mediated Diseases PTGER1, PTGDR, PTGER4 CYP1A2 140/4885PTGER1 1/4885MRGPRX4 32/4885
US-20100056527-A1 BENZOFURAN COMPOUNDS USEFUL IN THE TREATMENT OF CONDITIONS MEDIATED BY THE ACTION OF PGE2 AT THE EP1 RECEPTOR PTGER1, PTGER2, PTGER4 CYP1A2 69/4885PTGER1 1/4885MRGPRX4 129/4885

“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.