Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1030910

CC1=Cc2c(ccc3cc(C)ccc23)C1[Zr+2]1(C2C(C)=Cc3c2ccc2cc(C)ccc32)CC1.[Cl-].[Cl-]

nearest known ligand 0.37

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 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP2A6 P11509 4/20 0.33
SIRT2 Q8IXJ6 3/20 0.31
SIRT1 Q96EB6 1/20 0.31
TDP1 Q9NUW8 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
Fluoride Ion SCHEMBL7641950 0.79 KDM4E (0.38) CYP1A2KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL7635462 0.75 CHRNB2 (0.32)
Hydrochloric Acid SCHEMBL3119117 0.73 MAPT (0.30) ALDH1A1
Hydrochloric Acid SCHEMBL438367 0.72 HTR2C (0.34) ALDH1A1
Hydrochloric Acid SCHEMBL6895703 0.72 HTR1A (0.39) CYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL13750553 0.72 CYP1A2 (0.40) CYP1A2KDM4EALDH1A1LMNAGAA
Hydrochloric Acid SCHEMBL5953029 0.70 BRD4 (0.32)
Hydrochloric Acid SCHEMBL3679764 0.70 ALDH1A1 (0.33) ALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL5951783 0.69 HTR7 (0.35) ALDH1A1CYP2A6
Hydrochloric Acid SCHEMBL4475246 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567560-B1 ORGANOMETALLIC TRANSITION METAL COMPOUND, BISCYCLOPENTADIENYL LIGAND SYSTEM, CATALYST SYSTEM AND PROCESS FOR PREPARING POLYOLEFINS BASELL POLYOLEFINE GMBH (DE) 2011-01-19 EP disclosed
US-7405261-B2 Organometallic transition metal compound, biscyclopentadienyl ligand system, catalyst system and process for preparing polyolefins BASELL POLYOLEFINE GMBH (DE) 2008-07-29 US disclosed
US-20060122345-A1 Organometallic transition metal compound, biscyclopentadienyl ligand system, catalyst system and process for preparing polyolefins BASSELL POLYOLEFINE GMBH (DE) 2006-06-08 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 (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-20060122345-A1 Organometallic transition metal compound, biscyclopentadienyl ligand system, catalyst system and process for preparing polyolefins C1R, CBR3, CBR1 CYP1A2 1854/4885KDM4E 4210/4885ALDH1A1 3936/4885

“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.