SCHEMBL3016987

SCHEMBL3016987

COc1cc(-c2cc3cc(C(C)C(=O)N4CCOCC4)ccc3o2)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.45
PTGES O14684 2/20 0.44
ALOX5 P09917 1/20 0.44
CSNK2A2 P19784 7/20 0.44
CSNK2B P67870 7/20 0.44
CSNK2A1 P68400 7/20 0.44
ESR2 Q92731 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 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
SCHEMBL3003597 0.92 PTGES (0.46) PTGESALOX5CSNK2A2CSNK2BCSNK2A1
SCHEMBL3010525 0.91 PTGES (0.45) TRPV1PTGESALOX5CSNK2A2CSNK2B
SCHEMBL2998019 0.89 POLB (0.56) PTGESALOX5CSNK2A2CSNK2BCSNK2A1
SCHEMBL3015356 0.85 PTGES (0.43) PTGESALOX5CSNK2A2CSNK2BCSNK2A1
SCHEMBL12543138 0.83 CSNK2A2 (0.51) PTGESALOX5CSNK2A2CSNK2BCSNK2A1
SCHEMBL3002388 0.81 CSNK2A2 (0.49) PTGESALOX5CSNK2A2CSNK2BCSNK2A1
SCHEMBL3013926 0.79 FKBP1A (0.51) TRPV1ALOX5CSNK2A2CSNK2BCSNK2A1
SCHEMBL3010649 0.79 CSNK2A2 (0.48) PTGESALOX5CSNK2A2CSNK2BCSNK2A1
SCHEMBL3003741 0.77 CSNK2A2 (0.47) PTGESALOX5CSNK2A2CSNK2BCSNK2A1
SCHEMBL3008056 0.76 CSNK2A2 (0.46) PTGESALOX5CSNK2A2CSNK2BCSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069321-B1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF MEDIFRON DBT CO LTD (KR) 2016-04-13 EP claimed
US-20100197685-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF DIGITAL BIOTECH CO., LTD (KR) 2010-08-05 US claimed
EP-2069321-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF Digital Biotech Co., Ltd. (KR) 2009-06-17 EP claimed
WO-2008041826-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF DIGITAL BIOTECH CO., LTD (KR) 2008-04-10 WO claimed
EP-2069321-B1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF MEDIFRON DBT CO LTD (KR) 2016-04-13 EP disclosed
US-8580848-B2 Benzofuran type derivatives, a composition comprising the same for treating or preventing cognitive dysfunction and the use thereof DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2013-11-12 US disclosed
US-8507553-B2 Benzofuran type derivatives, a composition comprising the same for treating or preventing cognitive dysfunction and the use thereof DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2013-08-13 US disclosed
US-8455542-B2 Benzofuran type derivatives, a composition comprising the same for treating or preventing cognitive dysfunction and the use thereof DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2013-06-04 US disclosed
US-20120259006-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF DAEWOONG PHARMACEUTICAL CO., LTD (KR) 2012-10-11 US disclosed
US-20120245165-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF DAEWOONG PHARMACEUTICAL CO., LTD (KR) 2012-09-27 US disclosed
US-20120245225-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF DAEWOONG PHARMACEUTICAL CO., LTD (KR) 2012-09-27 US disclosed
US-8263649-B2 Benzofuran type derivatives, a composition comprising the same for treating or preventing cognitive dysfunction and the use thereof MEDIFRON DBT CO., LTD. (KR) 2012-09-11 US disclosed
US-20100197685-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF DIGITAL BIOTECH CO., LTD (KR) 2010-08-05 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 (4 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-20100197685-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF APP, BACE1, PSEN1 TRPV1 2171/4885PTGES 2129/4885ALOX5 952/4885
US-20120259006-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF APP, BACE1, PSEN1 TRPV1 2171/4885PTGES 2129/4885ALOX5 952/4885
US-20120245165-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF APP, BACE1, PSEN1 TRPV1 2171/4885PTGES 2129/4885ALOX5 952/4885
US-20120245225-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF APP, BACE1, PSEN1 TRPV1 2171/4885PTGES 2129/4885ALOX5 952/4885

“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.