SCHEMBL2235768

SCHEMBL2235768

CCOC(OCC)c1ccc(CCCO)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.45
PTGS2 P35354 7/20 0.45
BCHE P06276 5/20 0.45
CYP4A11 Q02928 4/20 0.45
PPARA Q07869 1/20 0.41
CYP4F2 P78329 3/20 0.40
LTA4H P09960 1/20 0.40
EPHX2 P34913 1/20 0.40
CA2 P00918 1/20 0.40
TNKS2 Q9H2K2 1/20 0.38
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
CYP3A4 P08684 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLCO1B3 Q9NPD5 1/20 0.36

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
SCHEMBL16407983 0.95 CYP4A11 (0.46) ACHEPTGS2BCHECYP4A11PPARA
SCHEMBL16407985 0.93 CYP4A11 (0.45) ACHEPTGS2BCHECYP4A11CYP4F2
SCHEMBL5796026 0.89 PTGS2 (0.47) ACHEPTGS2BCHECYP4A11PPARA
SCHEMBL8947378 0.85 CA2 (0.44) ACHEPTGS2BCHECA2ALDH1A1
SCHEMBL5983708 0.82 HTR2A (0.53) ACHEPTGS2ALDH1A1LMNACYP3A4
SCHEMBL3126542 0.81 ACHE (0.46) ACHEPTGS2BCHECA2
SCHEMBL4738416 0.81 ACHE (0.50) ACHEPTGS2BCHEPPARALTA4H
SCHEMBL20373528 0.81 CYP4A11 (0.44) ACHEPTGS2BCHECYP4A11PPARA
SCHEMBL8906121 0.80 CYP4A11 (0.51) ACHEPTGS2BCHECYP4A11PPARA
SCHEMBL6394314 0.78 PTGS2 (0.57) ACHEPTGS2BCHELMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210380579-A1 PROTEOLYSIS TARGETING CHIMERA (PROTACS) AS DEGRADERS OF SMARCA2 AND /OR SMARCA4 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-12-09 US disclosed
WO-2020078933-A1 PROTEOLYSIS TARGETING CHIMERA (PROTACS) AS DEGRADERS OF SMARCA2 AND/OR SMARCA4 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-04-23 WO disclosed
EP-3345904-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.a. (IT) 2018-07-11 EP disclosed
EP-3345904-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.a. (IT) 2018-07-11 EP disclosed
EP-2928889-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2018-03-21 EP disclosed
EP-2928889-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2018-03-21 EP disclosed
US-9371318-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2016-06-21 US disclosed
US-9371318-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2016-06-21 US disclosed
US-9371318-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2016-06-21 US disclosed
EP-2928889-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.A. (IT) 2015-10-14 EP disclosed
EP-2528897-A1 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS Otsuka Pharmaceutical Co., Ltd. (JP) 2012-12-05 EP disclosed
US-20120283242-A1 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-11-08 US disclosed
WO-2011093524-A9 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-01 WO disclosed
WO-2011093524-A1 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-04 WO disclosed
EP-1364957-B1 GLYCOPYRANOSYLOXYPYRAZOLE DERIVATIVES AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2008-12-31 EP disclosed
US-7189702-B2 Glucopyranosyloxypyrazole derivatives and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-03-13 US disclosed
US-7087579-B2 Glucopyranosyloxypyrazole derivatives and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-08-08 US disclosed
US-20060142209-A1 Glucopyranosyloxypyrazole derivatives and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. 2006-06-29 US disclosed
US-20040132669-A1 Human sodium glucose co-transporter 2 (SGLT2) inhibitors; hypoglycemic agents, antidiabetic agents; obesity; prodrugs KISSEI PHARMACEUTICAL CO., LTD. (JP) 2004-07-08 US disclosed
EP-1364957-A1 GLYCOPYRANOSYLOXYPYRAZOLE DERIVATIVES AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2003-11-26 EP 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-20040132669-A1 Human sodium glucose co-transporter 2 (SGLT2) inhibitors; hypoglycemic agents, antidiabetic agents; obesity; prodrugs SLC5A2, SLC5A1, SLC2A1 ACHE 4614/4885PTGS2 2305/4885BCHE 3626/4885
US-20060142209-A1 Glucopyranosyloxypyrazole derivatives and medicinal use thereof SLC5A2, SLC5A1, UGGT1 ACHE 4350/4885PTGS2 1819/4885BCHE 4094/4885
US-20210380579-A1 PROTEOLYSIS TARGETING CHIMERA (PROTACS) AS DEGRADERS OF SMARCA2 AND /OR SMARCA4 SMARCC1, SMARCA4, SMARCA1 ACHE 2823/4885PTGS2 3111/4885BCHE 2297/4885
US-20120283242-A1 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS TPD52L2, CCNE2, CDK2 ACHE 3669/4885PTGS2 438/4885BCHE 4597/4885

“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.