Hydrochloric Acid

Hydrochloric Acid

SCHEMBL820071

Cc1cc(C)c([N+]2=CN(c3c(C(C)C)cccc3C(C)C)CC2)c(C)c1.[Cl-]

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.32
DPP4 P27487 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL1047506 0.99 ANPEP (0.33) ANPEPDPP4ALDH1A1ALOX15TSHR
Hydrochloric Acid SCHEMBL739370 0.87 DPP4 (0.33) ANPEPDPP4ALDH1A1ALOX15TSHR
Hydrochloric Acid SCHEMBL1727633 0.86 DPP4 (0.32) ANPEPDPP4ALDH1A1ALOX15TSHR
SCHEMBL819459 0.86 DPP4 (0.33) ANPEPDPP4ALDH1A1ALOX15TSHR
SCHEMBL12503773 0.84 DPP4 (0.33) ANPEPDPP4ALDH1A1ALOX15TSHR
SCHEMBL2149891 0.84 DPP4 (0.33) ANPEPDPP4ALDH1A1ALOX15TSHR
SCHEMBL16465929 0.82
Hydrochloric Acid SCHEMBL23326872 0.82 ANPEP (0.36) ANPEPDPP4ALDH1A1ALOX15TSHR
Hydrochloric Acid SCHEMBL442699 0.81 ALDH1A1 (0.32) ALDH1A1
Hydrochloric Acid SCHEMBL1609624 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2574187-B1 SQUALANE AND ISOSQUALANE COMPOSITIONS AND METHODS FOR PREPARING THE SAME AMYRIS INC (US) 2019-09-11 EP disclosed
US-20160331727-A9 METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-11-17 US disclosed
US-20160000757-A1 METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-01-07 US disclosed
US-9072729-B2 Method for treating fibrosis and cancer with imidazolium and imidazolinium compounds AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-07-07 US disclosed
EP-2803356-A1 Method for treating neurological disorders with imidazolium and imidazolinium compounds Agency for Science, Technology and Research (SG) 2014-11-19 EP disclosed
US-8586814-B2 Squalane and isosqualane compositions and methods for preparing the same Amyris, Inc. (US) 2013-11-19 US disclosed
EP-2574187-A1 SQUALANE AND ISOSQUALANE COMPOSITIONS AND METHODS FOR PREPARING THE SAME Amyris Biotechnologies, Inc. (US) 2013-04-03 EP disclosed
US-20130053566-A1 CATIONIC PALLADIUM COMPLEXES COMPRISING DIAMINO CARBENE LIGANDS AND THEIR USE IN CATALYSIS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2013-02-28 US disclosed
WO-2011146837-A1 SQUALANE AND ISOSQUALANE COMPOSITIONS AND METHODS FOR PREPARING THE SAME Amyris, Inc. (US) 2011-11-24 WO disclosed
US-20110287988-A1 SQUALANE AND ISOSQUALANE COMPOSITIONS AND METHODS FOR PREPARING THE SAME EUAGORE, LLC 2011-11-24 US disclosed
WO-2011127579-A1 CATIONIC PALLADIUM COMPLEXES COMPRISING DIAMINO CARBENE LIGANDS AND THEIR USE IN CATALYSIS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2011-10-20 WO disclosed
US-20110178040-A1 METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-07-21 US disclosed
US-20110028513-A1 METHOD FOR TREATING NEUROLOGICAL DISORDERS WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-02-03 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 (6 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-20110028513-A1 METHOD FOR TREATING NEUROLOGICAL DISORDERS WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS SMN1; SMN2, INA, NLN ANPEP 1351/4885DPP4 782/4885ALDH1A1 2486/4885
US-20110287988-A1 SQUALANE AND ISOSQUALANE COMPOSITIONS AND METHODS FOR PREPARING THE SAME SQLE, FDFT1, COASY ANPEP 1900/4885DPP4 3630/4885ALDH1A1 155/4885
US-20110178040-A1 METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS MMP1, MYLK, MMP8 ANPEP 2080/4885DPP4 1055/4885ALDH1A1 1225/4885
US-20130053566-A1 CATIONIC PALLADIUM COMPLEXES COMPRISING DIAMINO CARBENE LIGANDS AND THEIR USE IN CATALYSIS MLX, LBR, LRRK2 ANPEP 2810/4885DPP4 1917/4885ALDH1A1 2938/4885
US-20160331727-A9 METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS MMP1, MYLK, MMP8 ANPEP 2080/4885DPP4 1055/4885ALDH1A1 1225/4885
US-20160000757-A1 METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS MMP1, MYLK, MMP8 ANPEP 2080/4885DPP4 1055/4885ALDH1A1 1225/4885

“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.