Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5953076

CCCCC1=Cc2c(-c3ccccc3)cccc2C1[Zr+2]1(C2C(CCCC)=Cc3c(-c4ccccc4)cccc32)CC1.[Cl-].[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
ACHE known ✓ P22303 1/20 0.31
HTR1A P08908 2/20 0.32
HTR7 P34969 2/20 0.32
BCHE P06276 1/20 0.31
PSMB5 P28074 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 SCHEMBL6886524 0.95 HTR1A (0.31) HTR1AHTR7BCHEACHE
Hydrochloric Acid SCHEMBL6891540 0.93 HTR7 (0.33) HTR1AHTR7
Hydrochloric Acid SCHEMBL5952938 0.91
Hydrochloric Acid SCHEMBL6894552 0.90 EDNRB (0.31)
Hydrochloric Acid SCHEMBL6892626 0.90 NISCH (0.32)
Hydrochloric Acid SCHEMBL6891292 0.88 HTR1A (0.32) HTR1AHTR7
Hydrochloric Acid SCHEMBL6893480 0.88 UCHL3 (0.31)
Hydrochloric Acid SCHEMBL6893646 0.88 BRD4 (0.30)
Hydrochloric Acid SCHEMBL6886407 0.88 DRD2 (0.35) HTR1AHTR7
Hydrochloric Acid SCHEMBL4658161 0.87 HTR1A (0.32) HTR1AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7038070-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2006-05-02 US disclosed
US-6963017-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2005-11-08 US disclosed
EP-0968158-B1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM BASELL POLYOLEFINE GMBH (DE) 2005-08-10 EP disclosed
US-20050033076-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2005-02-10 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-20030199703-A1 Method for producing alkyl-bridged ligand systems and transition metal compounds EQUISTAR CHEMICALS, LP 2003-10-23 US disclosed
US-20030009046-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2003-01-09 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 (3 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-20030199703-A1 Method for producing alkyl-bridged ligand systems and transition metal compounds ABL1, ICMT, ORAI2 ACHE 2601/4885HTR1A 3130/4885HTR7 3115/4885
US-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A ACHE 839/4885HTR1A 2570/4885HTR7 1861/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885HTR1A 2132/4885HTR7 2049/4885

“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.