Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3267582

CC1=Cc2c(-c3ccccc3)cccc2C1[Zr+2]1(C2C(C)=Cc3c(-c4ccccc4)cccc32)CCC1.[Cl-].[Cl-]

nearest known ligand 0.33

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 17)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
HTR1A P08908 4/20 0.32
HTR7 P34969 4/20 0.32
HTR2B P41595 3/20 0.32
TMEM97 Q5BJF2 3/20 0.32
SIGMAR1 Q99720 2/20 0.32
BRD4 O60885 1/20 0.31
PDK2 Q15119 1/20 0.30
PDK4 Q16654 1/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
CYP11B2 P19099 1/20 0.30
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30
PTGS2 P35354 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 SCHEMBL672585 0.97 USP30 (0.32) USP30CHRNB2CHRNA4HTR1AHTR7
Hydrochloric Acid SCHEMBL390312 0.94 USP30 (0.33) USP30CHRNB2CHRNA4HTR1AHTR7
Fluoride Ion SCHEMBL7636075 0.92 USP30 (0.33) USP30CHRNB2CHRNA4HTR1AHTR7
Hydrochloric Acid SCHEMBL6889773 0.90
Hydrochloric Acid SCHEMBL7192493 0.90 USP30 (0.32) USP30CHRNB2CHRNA4HTR1AHTR7
Hydrochloric Acid SCHEMBL6895031 0.86 EDNRB (0.32)
Hydrochloric Acid SCHEMBL6894652 0.86 BRD4 (0.33) BRD4
Hydrochloric Acid SCHEMBL6895143 0.86 BRD4 (0.33) BRD4
Hydrochloric Acid SCHEMBL6892455 0.86 CYP3A4 (0.35) HTR1AHTR7DRD2DRD1
Hydrochloric Acid SCHEMBL6884806 0.85 DRD2 (0.35) SIGMAR1CYP11B2DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620448-B1 PROCESS FOR THE PRODUCTION OF HALIDE METALLOCENE COMPOUNDS BASELL POLYOLEFINE GMBH (DE) 2010-06-16 EP disclosed
US-7468451-B2 Process for the production of halide metallocene compounds BASELL POLYOLEFINE GMBH (DE) 2008-12-23 US disclosed
EP-1381618-B1 PROCESS FOR THE PRODUCTION OF MONOHALIDE OR DIHALIDE METALLOCENE COMPOUNDS BASELL POLYOLEFINE GMBH (DE) 2008-05-07 EP disclosed
US-20070043228-A1 Process for the production of halide metallocene compounds BASELL POLYOLEFINE GMBH (DE) 2007-02-22 US disclosed
US-7115761-B2 Process for the production of monohalide or dihalide metallocene compounds BASELL POLYOLEFINE GMBH (DE) 2006-10-03 US disclosed
US-20060025621-A1 Process for the production of monohalide or dihalide metallocene compounds BASELL POLYOLEFINE GMBH (DE) 2006-02-02 US disclosed
US-6987196-B2 Process for the production of monohalide or dihalide metallocene compounds BASELL POLYOLEFINE GMBH (DE) 2006-01-17 US disclosed
US-6784305-B2 DERIVATIVES OF ZIRCONOCENE DICHLORIDE IN WHICH THE TWO SUBSTITUTED INDENYL GROUPS ARE JOINED TO ONE ANOTHER VIA A BRIDGE CAN, OWING TO THEIR CONFORMATIONAL RIGIDITY, BE USED AS CATALYSTS FOR THE STEREOSPECIFIC POLYMERIZATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2004-08-31 US disclosed
US-20040147770-A1 Process for the production of monohalide or dihalide metallocene compounds EQUISTAR CHEMICALS, LP 2004-07-29 US disclosed
US-20030199703-A1 Method for producing alkyl-bridged ligand systems and transition metal compounds EQUISTAR CHEMICALS, LP 2003-10-23 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 (4 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-20070043228-A1 Process for the production of halide metallocene compounds TPO, SOD1, TXNL1 USP30 692/4885CHRNB2 4090/4885CHRNA4 4197/4885
US-20030199703-A1 Method for producing alkyl-bridged ligand systems and transition metal compounds ABL1, ICMT, ORAI2 USP30 4487/4885CHRNB2 3083/4885CHRNA4 2408/4885
US-20060025621-A1 Process for the production of monohalide or dihalide metallocene compounds SOD1, HAO2, HMOX2 USP30 754/4885CHRNB2 1741/4885CHRNA4 3289/4885
US-20040147770-A1 Process for the production of monohalide or dihalide metallocene compounds SOD1, HAO2, MT-CO1 USP30 826/4885CHRNB2 2774/4885CHRNA4 3688/4885

“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.