SCHEMBL4136743

SCHEMBL4136743

CCOC(=O)C(C)c1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
ALDH1A1 P00352 4/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.44
MAPK1 P28482 4/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
GPR35 Q9HC97 1/20 0.44
LMNA P02545 4/20 0.43
KMT2A Q03164 3/20 0.43
USP2 O75604 2/20 0.43
MEN1 O00255 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
GRM8 O00222 3/20 0.43
GRM6 O15303 3/20 0.43
GRM4 Q14833 3/20 0.43
GRM7 Q14831 2/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL4150673 0.89 GPR35 (0.44) MAPTALDH1A1GAASMN1; SMN2MAPK1
SCHEMBL31430568 0.86 MT-CO2 (0.50) MAPTALDH1A1GAASMN1; SMN2MAPK1
SCHEMBL11681114 0.86 MT-CO2 (0.50) MAPTALDH1A1GAASMN1; SMN2MAPK1
SCHEMBL4128141 0.85 ADRB2 (0.49) MAPTALDH1A1SMN1; SMN2MAPK1TSHR
SCHEMBL2527072 0.84 TSHR (0.48) MAPTALDH1A1GAASMN1; SMN2MAPK1
SCHEMBL2531382 0.82 MAPT (0.44) MAPTALDH1A1GAASMN1; SMN2MAPK1
SCHEMBL5676255 0.82 TDP1 (0.44) MAPTALDH1A1GAASMN1; SMN2MAPK1
SCHEMBL3801755 0.82 ALDH1A1 (0.50) MAPTALDH1A1GAASMN1; SMN2MAPK1
SCHEMBL27541170 0.82 ALDH1A1 (0.51) MAPTALDH1A1GAASMN1; SMN2MAPK1
SCHEMBL14797532 0.81 ALDH1A1 (0.49) ALDH1A1LMNAL3MBTL1TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785474-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof to treat pain and other conditions GRUENENTHAL GMBH (DE) 2014-07-22 US disclosed
US-8785474-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof to treat pain and other conditions GRUENENTHAL GMBH (DE) 2014-07-22 US disclosed
US-8084484-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2011-12-27 US disclosed
US-8084484-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2011-12-27 US disclosed
US-8084484-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2011-12-27 US disclosed
US-20110301156-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof to Treat Pain and Other Conditions GRUENENTHAL GMBH (DE) 2011-12-08 US disclosed
US-20110301156-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof to Treat Pain and Other Conditions GRUENENTHAL GMBH (DE) 2011-12-08 US disclosed
CN-101679370-A Novel vanilloid receptor ligands and the use thereof for the production of pharmaceuticals GRUENENTHAL GMBH 2010-03-24 CN disclosed
EP-2137178-A2 NOVEL VANILLOID RECEPTOR LIGANDS AND THE USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICALS Grünenthal GmbH (DE) 2009-12-30 EP disclosed
US-20090156590-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions GRUENENTHAL GMBH (DE) 2009-06-18 US disclosed
US-20090156590-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions GRUENENTHAL GMBH (DE) 2009-06-18 US disclosed
US-20090156590-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions GRUENENTHAL GMBH (DE) 2009-06-18 US disclosed
WO-2008125342-A2 NOVEL VANILLOID RECEPTOR LIGANDS AND THE USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICALS Grünenthal GmbH (DE) 2008-10-23 WO disclosed
WO-2008125342-A2 NOVEL VANILLOID RECEPTOR LIGANDS AND THE USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICALS Grünenthal GmbH (DE) 2008-10-23 WO disclosed
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 WO disclosed
US-4016193-A ANALGESICS, ANTIINFLAMMATORY AGENTS MITSUBISHI YUKA PHARMACEUTICAL CO., LTD. (JA) 1977-04-05 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 (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-20090156590-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions TRPV1, OPRL1, TRPV2 MAPT 3452/4885ALDH1A1 1590/4885GAA 1817/4885
US-20110301156-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof to Treat Pain and Other Conditions TRPV1, OPRL1, TRPV2 MAPT 3387/4885ALDH1A1 1566/4885GAA 1794/4885

“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.