Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5690129

CC(C)(C)c1ccc(-c2cccc3c2C=C(C2CCCC2)C3[Zr+2])cc1.[Cl-].[Cl-]

nearest known ligand 0.35

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 16)

geneUniProtsupporting neighboursconfidence
CHRM3 known ✓ P20309 1/20 0.32
PTGS2 P35354 1/20 0.35
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
LMNA P02545 2/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
XBP1 P17861 1/20 0.30
ALOX12 P18054 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
KIF11 P52732 2/20 0.30
PTPN5 P54829 1/20 0.30
PARP1 P09874 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 SCHEMBL6885735 0.84 PTGS2 (0.33) PTGS2BRD4CREBBP
Hydrochloric Acid SCHEMBL6889770 0.83 PTGS2 (0.33) PTGS2BRD4CREBBP
Hydrochloric Acid SCHEMBL6891121 0.83 PTGS2 (0.33) PTGS2BRD4CREBBPLMNAALDH1A1
Hydrochloric Acid SCHEMBL6892675 0.83 PTGS2 (0.35) PTGS2BRD4CREBBPCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL6889714 0.83 PTGS2 (0.33) PTGS2BRD4CREBBPCHRM3PARP1
Hydrochloric Acid SCHEMBL6891522 0.83 PTGS2 (0.33) PTGS2BRD4CREBBP
Hydrochloric Acid SCHEMBL6884558 0.82 BRD4 (0.33) PTGS2BRD4CREBBPCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL6890064 0.82 PTGS2 (0.34) PTGS2BRD4CREBBPCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL6886337 0.82 PTGS2 (0.34) PTGS2BRD4CREBBPCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL6895146 0.82 PTGS2 (0.32) PTGS2BRD4CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1511755-B1 TRANSITION METAL COMPOUNDS THEIR PREPARATION AND THEIR USE IN CATALYST SYSTEMS FOR THE POLYMERIZATION AND COPOLYMERIZATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2006-03-08 EP disclosed
US-20050182266-A1 Transition metal componds their preparation and their use in catalyst systems for the polymerization and copolymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2005-08-18 US disclosed
EP-1511755-A1 TRANSITION METAL COMPOUNDS THEIR PREPARATION AND THEIR USE IN CATALYST SYSTEMS FOR THE POLYMERIZATION AND COPOLYMERIZATION OF OLEFINS Basell Polyolefine GmbH (DE) 2005-03-09 EP disclosed
WO-2003106470-A1 TRANSITION METAL COMPOUNDS THEIR PREPARATION AND THEIR USE IN CATALYST SYSTEMS FOR THE POLYMERIZATION AND COPOLYMERIZATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2003-12-24 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-20050182266-A1 Transition metal componds their preparation and their use in catalyst systems for the polymerization and copolymerization of olefins YAP1, COX14, CYCS CHRM3 3723/4885PTGS2 272/4885BRD4 1650/4885

“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.