SCHEMBL357534

SCHEMBL357534

CCCC[n+]1ccn(C)c1.O=S(=O)([O-])C(F)(F)C(F)OC(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.32
ALDH1A1 P00352 3/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ACHE P22303 1/20 0.32
APAF1 O14727 2/20 0.31
LMNA P02545 1/20 0.31
CASP3 P42574 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
KCNH2 Q12809 6/20 0.30
KDM4E B2RXH2 1/20 0.30

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
Hydrochloric Acid SCHEMBL2872725 0.99 MAPT (0.32) MAPTALDH1A1HTTSMN1; SMN2ACHE
SCHEMBL357696 0.91 ALDH1A1 (0.31) MAPTALDH1A1HTTSMN1; SMN2ACHE
SCHEMBL5597843 0.89 ALDH1A1 (0.30) MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL357139 0.88 ALDH1A1 (0.34) MAPTALDH1A1HTTSMN1; SMN2ACHE
SCHEMBL358055 0.87 MAPT (0.34) MAPTALDH1A1HTTSMN1; SMN2ACHE
Hydrochloric Acid SCHEMBL534993 0.86 MAPT (0.33) MAPTALDH1A1HTTSMN1; SMN2APAF1
Trifluoromethanesulfonic Acid SCHEMBL192398 0.84 ACHE (0.40) MAPTALDH1A1HTTSMN1; SMN2ACHE
SCHEMBL358007 0.83 MEN1 (0.34) MAPTALDH1A1HTTAPAF1KMT2A
SCHEMBL1735956 0.83 MEN1 (0.34) MAPTALDH1A1HTTAPAF1KMT2A
SCHEMBL1858365 0.83 MEN1 (0.34) MAPTALDH1A1HTTAPAF1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8568608-B2 Vapor compression cycle utilizing ionic liquid as compressor lubricant E I DU PONT DE NEMOURS AND COMPANY (US) 2013-10-29 US claimed
EP-2021276-B1 PROCESS FOR PURIFYING PERFLUORINATED PRODUCTS DU PONT (US) 2013-07-17 EP claimed
EP-1954680-B1 IONIC LIQUIDS DU PONT (US) 2012-05-23 EP claimed
US-20120011886-A1 IONIC COMPOUNDS IN LITHIUM BROMIDE/WATER ABSORPTION CYCLE SYSTEMS E. I. DU PONT DE NEMOURS AND COMPANY 2012-01-19 US claimed
US-20110195212-A1 Flame Retardant Polycarbonate Compositions E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-08-11 US claimed
US-20100204521-A1 PROCESSES FOR MAKING DIBUTYL ETHERS FROM 2-BUTANOL E. I. DU PONT DE NEMOURS AND COMPANY 2010-08-12 US claimed
US-20100197974-A1 PROCESSES FOR MAKING DIALKYL ETHERS FROM ALCOHOLS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-08-05 US claimed
US-20100174120-A1 PROCESSES FOR MAKING DIBUTYL ETHERS FROM ISOBUTANOL E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-08 US claimed
US-20100143993-A1 PROCESS FOR FERMENTIVE PREPARATIONFOR ALCOLHOLS AND RECOVERY OF PRODUCT E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-06-10 US claimed
US-20100143999-A1 PROCESS FOR FERMENTIVE PREPARATION OF ALCOHOLS AND RECOVERY OF PRODUCT E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-06-10 US claimed
US-20100139154-A1 PROCESS FOR FERMENTIVE PREPARATION OF ALCOHOLS AND RECOVERY OF PRODUCT E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-06-10 US claimed
US-20100143994-A1 PROCESS FOR FERMENTIVE PREPARATION OF ALCOHOLS AND RECOVERY OF PRODUCT E. I. DU PONT DE MEMOURS AND COMPANY 2010-06-10 US claimed
US-7544813-B2 Ionic liquids E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-06-09 US claimed
EP-1940914-B1 PREPARATION OF POLYTRIMETHYLENE ETHER GLYCOL AND COPOLYMERS THEREOF DU PONT (US) 2009-05-13 EP claimed
US-20080221241-A1 Flame Retardant Polycarbonate Compositions E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-09-11 US claimed
US-7238772-B2 Preparation of polytrimethylene ether glycol and copolymers thereof E. I. DU PONT DE NEMOURS AND COMPANY (DE) 2007-07-03 US claimed
US-20070100184-A1 Alkylation of aromatic compounds E. I. DU PONT DE NEMOURS AND COMPANY 2007-05-03 US claimed
US-20070066854-A1 Preparation of polytrimethylene ether glycol and copolymers thereof THE CHEMOURS COMPANY FC, LLC 2007-03-22 US claimed
US-20070066852-A1 Preparation of poly(tetramethylene) glycol THE CHEMOURS COMPANY FC, LLC 2007-03-22 US claimed
US-20070066822-A1 Ionic liquids THE CHEMOURS COMPANY FC, LLC 2007-03-22 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20100174120-A1 PROCESSES FOR MAKING DIBUTYL ETHERS FROM ISOBUTANOL EBP, PPIP5K2, PCBP1 MAPT 2046/4885ALDH1A1 2305/4885HTT 3899/4885
US-20100197974-A1 PROCESSES FOR MAKING DIALKYL ETHERS FROM ALCOHOLS ADH1C, DCLK1, GK MAPT 3512/4885ALDH1A1 800/4885HTT 3130/4885
US-20070100184-A1 Alkylation of aromatic compounds TYR, ALK, AHR MAPT 798/4885ALDH1A1 543/4885HTT 900/4885
US-20070066854-A1 Preparation of polytrimethylene ether glycol and copolymers thereof PARG, PTGES3, PGD MAPT 2208/4885ALDH1A1 840/4885HTT 4120/4885
US-20100204521-A1 PROCESSES FOR MAKING DIBUTYL ETHERS FROM 2-BUTANOL TRIB2, EBP, DAB2IP MAPT 2938/4885ALDH1A1 2378/4885HTT 4231/4885
US-20070066822-A1 Ionic liquids AFF2, AFF1, ZYX MAPT 3942/4885ALDH1A1 3728/4885HTT 4577/4885
US-20070066852-A1 Preparation of poly(tetramethylene) glycol PARG, PUF60, TPR MAPT 296/4885ALDH1A1 2896/4885HTT 199/4885

“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.