Benzene

Benzene

SCHEMBL502623

OCC(O)COCC(O)CO.c1ccccc1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.46
LMNA P02545 3/20 0.44
ALDH1A1 P00352 1/20 0.44
KDM4E B2RXH2 4/20 0.42
CYP1A2 P05177 3/20 0.42
AGTR1 P30556 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
THRB P10828 1/20 0.36
CHRNA7 P36544 1/20 0.35
FGFR1 P11362 1/20 0.33
DUSP3 P51452 1/20 0.32

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
SCHEMBL1638881 0.91 LMNA (0.53) USP2LMNAALDH1A1KDM4ECYP1A2
SCHEMBL30754 0.91 LMNA (0.53) USP2LMNAALDH1A1KDM4ECYP1A2
Glycerin SCHEMBL2582537 0.88 LMNA (0.60) USP2LMNAALDH1A1KDM4ECYP1A2
SCHEMBL821029 0.88 LMNA (0.50) USP2LMNAALDH1A1KDM4ECYP1A2
SCHEMBL22279336 0.88 LMNA (0.50) USP2LMNAALDH1A1KDM4ECYP1A2
SCHEMBL25238278 0.88 LMNA (0.50) USP2LMNAALDH1A1KDM4ECYP1A2
SCHEMBL10329835 0.88 LMNA (0.50) USP2LMNAALDH1A1KDM4ECYP1A2
SCHEMBL15894238 0.88 LMNA (0.50) USP2LMNAALDH1A1KDM4ECYP1A2
Glycerin SCHEMBL314170 0.88 LMNA (0.60) USP2LMNAALDH1A1KDM4ECYP1A2
SCHEMBL6249798 0.88 LMNA (0.50) USP2LMNAALDH1A1KDM4ECYP1A2

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 10 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

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 USP2 2362/4885LMNA 742/4885ALDH1A1 1945/4885
US-20120309825-A1 Nitrate Esters And Their Use For The Treatment Of Muscle And Muscle Related Diseases TNNC1, TNNI3, TNNT2 USP2 713/4885LMNA 568/4885ALDH1A1 1718/4885
US-20110130455-A1 Nitrate Esters and Their Use For The Treatment of Muscle and Muscle Related Diseases TNNC1, TNNI3, TNNT2 USP2 619/4885LMNA 613/4885ALDH1A1 1657/4885

“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.