SCHEMBL2004550

SCHEMBL2004550

CCCOc1cc(O)cc(OCCC)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.55
ELANE P08246 1/20 0.47
CNR1 P21554 7/20 0.46
CNR2 P34972 6/20 0.46
NR5A1 Q13285 1/20 0.45
SLC5A1 P13866 1/20 0.45
SLC5A2 P31639 1/20 0.45
PLA2G2A P14555 1/20 0.44
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
KMT2A Q03164 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
SCHEMBL12703529 0.95 LTA4H (0.55) LTA4HELANECNR1CNR2NR5A1
SCHEMBL14382257 0.92 PTGS2 (0.51) LTA4HELANECNR1CNR2SLC5A1
SCHEMBL17534301 0.90 CNR1 (0.51) LTA4HCNR1CNR2NR5A1PLA2G2A
SCHEMBL7307689 0.88 LTA4H (0.59) LTA4HCNR1CNR2NR5A1PLA2G2A
SCHEMBL17534007 0.88 LTA4H (0.46) LTA4HELANECNR1CNR2NR5A1
SCHEMBL91974 0.87 LTA4H (0.48) LTA4HELANEPLA2G2APTGS1PTGS2
SCHEMBL17204428 0.87 ELANE (0.54) LTA4HELANECNR1CNR2NR5A1
SCHEMBL17534017 0.87 CNR1 (0.56) CNR1CNR2NR5A1PLA2G2A
SCHEMBL25612264 0.86 LTA4H (0.47) LTA4HELANECNR1CNR2NR5A1
SCHEMBL17540924 0.85 CNR1 (0.48) LTA4HCNR1CNR2NR5A1PLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119504380-A Liquid stabilizer for nitrate compound and preparation method thereof 南京理工大学 2025-02-25 CN disclosed
US-20160060260-A1 BROMODOMAIN INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-03-03 US disclosed
US-20160060260-A1 BROMODOMAIN INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-03-03 US disclosed
US-20160060260-A1 BROMODOMAIN INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-03-03 US disclosed
WO-2016033416-A1 BROMODOMAIN INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2016-03-03 WO disclosed
WO-2016033416-A1 BROMODOMAIN INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2016-03-03 WO disclosed
EP-1751127-B1 NOVEL CYLOPENTA[B]BENZOFURAN DERIVATIVES AND THE UTILIZATION THEREOF INTERMED DISCOVERY GMBH (DE) 2012-07-11 EP disclosed
US-8030347-B2 Cylopenta[b]benzofuran derivatives and the utilization thereof BAYER HEALTHCARE AG (DE) 2011-10-04 US disclosed
US-7960380-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2011-06-14 US disclosed
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators ASTRAZENECA AB (SE) 2010-09-09 US disclosed
US-7723333-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2010-05-25 US disclosed
US-20090018113-A1 Novel Cylopenta[B]Benzofuran Derivatives and the Utilization Thereof BAYER HEALTHCARE AG (DE) 2009-01-15 US disclosed
US-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2009-01-01 US disclosed
EP-1838687-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP disclosed
EP-1751127-A2 NOVEL CYLOPENTA¬B|BENZOFURAN DERIVATIVES AND THE UTILIZATION THEREOF Bayer HealthCare AG (DE) 2007-02-14 EP disclosed
WO-2006073366-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 WO disclosed
WO-2005113529-A2 NOVEL CYLOPENTA[B]BENZOFURAN DERIVATIVES AND THE UTILIZATION THEREOF BAYER HEALTHCARE AG (DE) 2005-12-01 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 (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-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 LTA4H 2757/4885ELANE 4183/4885CNR1 335/4885
US-20160060260-A1 BROMODOMAIN INHIBITORS FOR TREATING DISEASE BRDT, BRPF3, BRWD1 LTA4H 3000/4885ELANE 856/4885CNR1 3430/4885
US-20090018113-A1 Novel Cylopenta[B]Benzofuran Derivatives and the Utilization Thereof FKBP1A, FKBP2, FKBP1B LTA4H 1308/4885ELANE 452/4885CNR1 397/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 LTA4H 2757/4885ELANE 4183/4885CNR1 335/4885

“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.