Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1031201

CCCCC1=Cc2c(-c3ccccc3)c(C)cc(C)c2C1[Zr+2]1(C2C(CCCC)=Cc3c(-c4ccccc4)c(C)cc(C)c32)CC1.[Cl-].[Cl-]

nearest known ligand 0.31

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 8)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 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 SCHEMBL1030904 0.91
Hydrochloric Acid SCHEMBL1032735 0.90 SIRT2 (0.31)
Hydrochloric Acid SCHEMBL1034730 0.88
Hydrochloric Acid SCHEMBL1029554 0.88
Hydrochloric Acid SCHEMBL1032053 0.88
Hydrochloric Acid SCHEMBL1030060 0.87 CNR2 (0.32) CNR1CNR2
Hydrochloric Acid SCHEMBL1031801 0.87
Hydrochloric Acid SCHEMBL1032217 0.85 HSD11B1 (0.33) HPGDNPSR1
Hydrochloric Acid SCHEMBL1030498 0.84
Hydrochloric Acid SCHEMBL1028613 0.83 CNR1 (0.31) NPSR1KDM4ECNR1CNR2

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 HPGD 4208/4885NPSR1 49/4885KDM4E 4210/4885

“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.