SCHEMBL4438974

SCHEMBL4438974

CNC(C)C(C)(OC)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.39
MAPK1 P28482 1/20 0.39
ALOX15 P16050 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TAAR1 Q96RJ0 3/20 0.34
SLC18A2 Q05940 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CES1 P23141 1/20 0.34
CHRM2 P08172 1/20 0.33
ADRA1A P35348 1/20 0.33
RGS12 O14924 1/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
ADRA2C P18825 1/20 0.33
NFKB1 P19838 1/20 0.33

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 SCHEMBL6626174 0.98 KCNN4 (0.38) KCNN4MAPK1ALOX15ALDH1A1TAAR1
SCHEMBL11661542 0.79 MAPK1 (0.44) KCNN4MAPK1ALOX15ALDH1A1TAAR1
SCHEMBL21637586 0.76 MAPK1 (0.41) KCNN4MAPK1ALOX15ALDH1A1TAAR1
SCHEMBL89308 0.75 KCNN4 (0.44) KCNN4MAPK1ALOX15ALDH1A1TAAR1
SCHEMBL15434945 0.75 KCNN4 (0.44) KCNN4MAPK1ALOX15ALDH1A1TAAR1
SCHEMBL487295 0.74 MAPK1 (0.43) KCNN4MAPK1ALOX15ALDH1A1TAAR1
SCHEMBL20394562 0.73 MAPK1 (0.39) KCNN4MAPK1ALOX15ALDH1A1TAAR1
SCHEMBL14461649 0.73 MAPK1 (0.39) KCNN4MAPK1ALOX15ALDH1A1TAAR1
SCHEMBL14154663 0.72 KCNN4 (0.41) KCNN4MAPK1ALOX15ALDH1A1TAAR1
SCHEMBL11192903 0.69 CYP2D6 (0.48) KCNN4MAPK1ALOX15ALDH1A1TAAR1

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
EP-2114919-A2 PROCESS FOR THE PREPARATION OF OPTICALLY PURE OMEPRAZOLE VIA SALT FORMATION WITH A CHIRAL AMINE OR TREATMENT WITH AN ENTIOMER CONVERTING ENZYME AND CHROMATOGRAPHIC SEPERATION Krka Tovarna Zdravil, D.D., Novo Mesto (SI) 2009-11-11 EP claimed
WO-2008092939-A2 PROCESS FOR THE PREPARATION OF OPTICALLY PURE OMEPRAZOLE VIA SALT FORMATION WITH A CHIRAL AMINE OR TREATMENT WITH AN ENTIOMER CONVERTING ENZYME AND CHROMATOGRAPHIC SEPARATION KRKA, TOVARNA ZDRAVIL, D.D., NOVO MESTO (SI) 2008-08-07 WO claimed
US-20200269668-A1 Biologically Efficacious Compositions, Articles of Manufacture And Processes For Producing And/Or Using Same VACHON DAVID JOHN (US) 2020-08-27 US disclosed
US-20170304815-A1 Antimicrobial And Biological Active Polymer Composites And Related Methods, Materials and Devices VACHON DAVID JOHN (US) 2017-10-26 US disclosed
EP-3190881-A1 ANTIMICROBIAL AND BIOLOGICALLY ACTIVE POLYMER COMPOSITES AND RELATED METHODS, MATERIALS AND DEVICES Iasis Molecular Sciences (US) 2017-07-19 EP disclosed
WO-2016040529-A1 ANTIMICROBIAL AND BIOLOGICALLY ACTIVE POLYMER COMPOSITES AND RELATED METHODS, MATERIALS AND DEVICES IASIS MOLECULAR SCIENCES (US) 2016-03-17 WO disclosed
US-20140099357-A1 Biologically Efficacious Compositions, Articles of Manufacture and Processes for Producing and/or Using Same Iasis Molecular Sciences LLC (US) 2014-04-10 US disclosed
US-20130004586-A1 Biologically Efficacious Compositions, Articles of Manufacture and Processes for Producing and/or Using Same VACHON DAVID J (US) 2013-01-03 US disclosed
EP-2537415-A1 Biologically efficacious compositions, articles of manufacture and processes for producing and/or using same Vachon, David (US) 2012-12-26 EP disclosed
EP-2114919-A2 PROCESS FOR THE PREPARATION OF OPTICALLY PURE OMEPRAZOLE VIA SALT FORMATION WITH A CHIRAL AMINE OR TREATMENT WITH AN ENTIOMER CONVERTING ENZYME AND CHROMATOGRAPHIC SEPERATION Krka Tovarna Zdravil, D.D., Novo Mesto (SI) 2009-11-11 EP disclosed
WO-2008092939-A2 PROCESS FOR THE PREPARATION OF OPTICALLY PURE OMEPRAZOLE VIA SALT FORMATION WITH A CHIRAL AMINE OR TREATMENT WITH AN ENTIOMER CONVERTING ENZYME AND CHROMATOGRAPHIC SEPARATION KRKA, TOVARNA ZDRAVIL, D.D., NOVO MESTO (SI) 2008-08-07 WO disclosed
US-6077822-A COMPRISING WATER-INSOLUBLE SALT OF MONO TO OCTA-SACCHARIDE SUGAR ACID WITH BIOLOGICALLY ACTIVE COMPOUND SELECTED FROM AMINOGLYCOSIDES, TETRACYCLINES, POLYPEPTIDES, GLYCOPEPTIDES AND MACROLIDES FOR CONTROLLED RELEASE OF DRUGS DUMEX-ALPHARMA A/S (DK) 2000-06-20 US disclosed
EP-0764169-B1 DRUG SALTS DUMEX LTD AS (DK) 1998-09-23 EP disclosed
EP-0764169-A2 DRUG SALTS DUMEX-ALPHARMA A/S (DK) 1997-03-26 EP disclosed
WO-1995034571-A2 DRUG SALTS DUMEX ALPHARMA A/S (DK) 1995-12-21 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 (1 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-20170304815-A1 Antimicrobial And Biological Active Polymer Composites And Related Methods, Materials and Devices PHOSPHO1, PGLS, PUF60 KCNN4 99/4885MAPK1 613/4885ALOX15 602/4885

“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.