SCHEMBL502622

SCHEMBL502622

OCC(O)C(OC(c1ccccc1)C(O)CO)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
TRPA1 O75762 3/20 0.39
GSR P00390 1/20 0.39
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 1/20 0.37
AOC3 Q16853 3/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
POLB P06746 1/20 0.35
HTR2A P28223 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2C P18825 1/20 0.34

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
SCHEMBL10995454 0.88 TRPA1 (0.43) LMNATRPA1KDM4EAOC3ALDH1A1
SCHEMBL10338422 0.85 THRB (0.46) LMNATRPA1GSRKDM4EL3MBTL1
SCHEMBL13743571 0.82 SLC6A4 (0.39) LMNATRPA1GSRKDM4EL3MBTL1
SCHEMBL27906584 0.82 SLC6A4 (0.39) LMNATRPA1GSRKDM4EL3MBTL1
SCHEMBL28635640 0.81 TAAR1 (0.42) LMNAKDM4EALDH1A1TSHRSLC6A2
SCHEMBL16004892 0.80 LMNA (0.44) LMNATRPA1GSRKDM4EL3MBTL1
SCHEMBL12929842 0.80 LMNA (0.44) LMNATRPA1GSRKDM4EL3MBTL1
SCHEMBL7294407 0.79 AOC3 (0.38) LMNAMAPK1AOC3TSHRPOLB
SCHEMBL11641922 0.79 PPARG (0.40) KDM4EALDH1A1TSHR
SCHEMBL7643899 0.77 CYP2D6 (0.35) LMNATRPA1GSRKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452117-B2 Nitrate esters and their use for the treatment of muscle and muscle related diseases THE CHARLOTTE-MECKLENBURG HOSPITAL AUTHORITY (US) 2016-09-27 US disclosed
EP-2329862-B1 Nitrate esters and their use for the treatment of muscle and muscle related diseases CHARLOTTE MECKLENBURG HOSPITAL (US) 2016-03-30 EP disclosed
US-9023890-B2 Nitrate esters and their use for the treatment of muscle and muscle related diseases THE CHARLOTTE-MECKLENBURG HOSPITAL AUTHORITY (US) 2015-05-05 US disclosed
US-20120309825-A1 Nitrate Esters And Their Use For The Treatment Of Muscle And Muscle Related Diseases THE CHARLOTTE-MECKLENBURG HOSPITAL AUTHORITY D/B/A CAROLINAS MEDICAL CENTER (US) 2012-12-06 US disclosed
EP-2529734-A1 Nitrate esters and their use for the treatment of muscle and muscle related diseases The Charlotte-Mecklenburg Hospital Authority (US) 2012-12-05 EP disclosed
US-8106080-B2 Mixture of muscle relaxant and nitrogen oxide doner; promote cell muscle proliferation repair; muscle dystrophy therapy WANG, GUQI (CA) 2012-01-31 US disclosed
EP-2329862-A1 Nitrate esters and their use for the treatment of muscle and muscle related diseases The Charlotte-Mecklenburg Hospital Authority (US) 2011-06-08 EP disclosed
US-20110130455-A1 Nitrate Esters and Their Use For The Treatment of Muscle and Muscle Related Diseases THE CHARLOTTE-MECKLENBURG HOSPITAL AUTHORITY D/B/A CAROLINAS MEDICAL CENTER 2011-06-02 US disclosed
US-20080207713-A1 Compositions and Methods For Enhancing Nitric Oxide Delivery ANDERSON, JUDITH E. (CA) 2008-08-28 US disclosed
WO-2006130982-A1 COMPOSITIONS AND METHODS FOR ENHANCING NITRIC OXIDE DELIVERY UNIVERSITY OF MANITOBA (CA) 2006-12-14 WO disclosed
EP-0328714-B1 STABILIZED OXYMETHYLENE COPOLYMER COMPOSITION Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1993-05-12 EP disclosed
EP-0328714-A1 Stabilized oxymethylene copolymer composition Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1989-08-23 EP disclosed
US-4792579-A ALKALINE EARTH METAL SALT OF AN ESTER OF A TRIBASIC INORGANIC ACID OF AN ORGANIC CARBOXYLIC ACID MONOESTER OF AN ALCOHOL HAVING TWO OR MORE HYDROXYL GROUPS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1988-12-20 US disclosed
US-4182706-A Flame-retardant agents for phenolic resins and process for their production CHEMISCHE FABRIK KALK GMBH (DE) 1980-01-08 US disclosed
US-4182706-A Flame-retardant agents for phenolic resins and process for their production CHEMISCHE FABRIK KALK GMBH (DE) 1980-01-08 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 (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-20080207713-A1 Compositions and Methods For Enhancing Nitric Oxide Delivery TNNC1, NOS1, NOS3 LMNA 742/4885TRPA1 1138/4885GSR 210/4885
US-20120309825-A1 Nitrate Esters And Their Use For The Treatment Of Muscle And Muscle Related Diseases TNNC1, TNNI3, TNNT2 LMNA 568/4885TRPA1 3986/4885GSR 758/4885
US-20110130455-A1 Nitrate Esters and Their Use For The Treatment of Muscle and Muscle Related Diseases TNNC1, TNNI3, TNNT2 LMNA 613/4885TRPA1 3948/4885GSR 804/4885

“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.