SCHEMBL2333789

SCHEMBL2333789

COc1ccc(CCCCOS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
FKBP1A P62942 1/20 0.49
HTT P42858 1/20 0.47
EGFR P00533 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 2/20 0.44
CALM1 P0DP23 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
CYP24A1 Q07973 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL8780852 0.96 FKBP1A (0.53) ALDH1A1BCHEACHEFKBP1AHTT
SCHEMBL6803332 0.90 ALDH1A1 (0.55) ALDH1A1BCHEACHEFKBP1AHTT
SCHEMBL18934371 0.87 ALDH1A1 (0.47) ALDH1A1FKBP1ASMN1; SMN2CNR2LMNA
SCHEMBL2567795 0.87 ALDH1A1 (0.47) ALDH1A1FKBP1ASMN1; SMN2CNR2LMNA
SCHEMBL8710128 0.86 ALDH1A1 (0.51) ALDH1A1BCHEACHEFKBP1AHTT
SCHEMBL14339870 0.86 CA2 (0.43) ALDH1A1FKBP1AHTTSMN1; SMN2MAPT
SCHEMBL8498573 0.86 CA2 (0.51) ALDH1A1HTTSMN1; SMN2CNR2LMNA
SCHEMBL20610741 0.85 F2RL1 (0.51) ALDH1A1BCHEACHEFKBP1AHTT
SCHEMBL8499603 0.84 CA2 (0.53) ALDH1A1ACHEHTTEGFRSMN1; SMN2
SCHEMBL13649253 0.84 ENPP1 (0.52) ALDH1A1FKBP1AHTTSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190241528-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2019-08-08 US disclosed
US-10167266-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2019-01-01 US disclosed
US-20170267650-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2017-09-21 US disclosed
US-20150376146-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2015-12-31 US disclosed
US-8846688-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2014-09-30 US disclosed
US-20140179625-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2014-06-26 US disclosed
US-20130012692-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2013-01-10 US disclosed
US-8227474-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2012-07-24 US disclosed
US-8198286-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2012-06-12 US disclosed
EP-1485360-B1 SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2011-08-17 EP disclosed
US-20040198745-A1 Sodium channel blockers PARION SCIENCES, INC. (US) 2004-10-07 US disclosed
US-20040198746-A1 Sodium channel blockers PARION SCIENCES, INC. (US) 2004-10-07 US disclosed
US-20040198749-A1 Broncholdilator agents; hydration of mucous membranes; respiratory system disorders PARION SCIENCES, INC. 2004-10-07 US disclosed
US-20040198748-A1 Antihistamines; bronchodilators; antiinflammatory agents; inflammatory bowel disorders PARION SCIENCES, INC. 2004-10-07 US disclosed
US-20040198747-A1 Sodium channel blockers PARION SCIENCES, INC. (US) 2004-10-07 US disclosed
US-20040198744-A1 Methods of using phenolic guanidine sodium channel blockers PARION SCIENCES, INC. 2004-10-07 US disclosed
US-20030199456-A1 Treating diseases characterized by too little liquid on mucosal surfaces using a\"topical\" sodium channel blocker designed to increased potency, reduced mucosal absorption, and slow dissociation; 2,6-diaminopyrazine derivatives CYFI, INC. (US) 2003-10-23 US disclosed
US-20030195160-A1 Sodium channel blockers CYFI, INC. 2003-10-16 US disclosed
WO-2003070182-A2 SODIUM CHANNEL BLOCKERS JOHNSON MICHAEL R (US) 2003-08-28 WO disclosed
WO-2003070184-A2 SODIUM CHANNEL BLOCKERS JOHNSON MICHAEL R (US) 2003-08-28 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 (14 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-20170267650-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A ALDH1A1 1210/4885BCHE 3168/4885ACHE 925/4885
US-10167266-B2 Sodium channel blockers SCNN1B, SCNN1A, SCNN1G ALDH1A1 941/4885BCHE 3819/4885ACHE 1845/4885
US-20150376146-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A ALDH1A1 1210/4885BCHE 3168/4885ACHE 925/4885
US-20030195160-A1 Sodium channel blockers HCN4, SCN2B, SCN5A ALDH1A1 1348/4885BCHE 2899/4885ACHE 828/4885
US-20040198747-A1 Sodium channel blockers HCN4, SCN2B, SCN5A ALDH1A1 1348/4885BCHE 2899/4885ACHE 828/4885
US-20040198745-A1 Sodium channel blockers SCN2B, SCN4A, SCN1B ALDH1A1 1034/4885BCHE 3782/4885ACHE 1789/4885
US-20040198744-A1 Methods of using phenolic guanidine sodium channel blockers KCNH2, KCNH3, KCNJ1 ALDH1A1 1078/4885BCHE 2141/4885ACHE 336/4885
US-20140179625-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A ALDH1A1 1210/4885BCHE 3168/4885ACHE 925/4885
US-20040198746-A1 Sodium channel blockers HCN4, SCN2B, SCN5A ALDH1A1 1348/4885BCHE 2899/4885ACHE 828/4885
US-20040198749-A1 Broncholdilator agents; hydration of mucous membranes; respiratory system disorders AQP1, TRPV1, AQP3 ALDH1A1 1642/4885BCHE 1740/4885ACHE 1380/4885
US-20130012692-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A ALDH1A1 1210/4885BCHE 3168/4885ACHE 925/4885
US-20030199456-A1 Treating diseases characterized by too little liquid on mucosal surfaces using a\"topical\" sodium channel blocker designed to increased potency, reduced mucosal absorption, and slow dissociation; 2,6-diaminopyrazine derivatives SCNN1B, KCNN2, KCNN1 ALDH1A1 1618/4885BCHE 3794/4885ACHE 1968/4885
US-20040198748-A1 Antihistamines; bronchodilators; antiinflammatory agents; inflammatory bowel disorders HRH4, HRH2, HRH1 ALDH1A1 651/4885BCHE 1121/4885ACHE 748/4885
US-20190241528-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A ALDH1A1 1210/4885BCHE 3168/4885ACHE 925/4885

“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.