Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1033766

CCC1=Cc2c(-c3cccc4ccccc34)c(C)c(C)c(C)c2C1[Zr+2]1(C2C(CC)=Cc3c(-c4cccc5ccccc45)c(C)c(C)c(C)c32)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 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
DHFR P00374 1/20 0.32
HTR7 P34969 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 SCHEMBL1032635 0.89 CNR1 (0.32) KDM4EHTR7CNR1
Hydrochloric Acid SCHEMBL1032783 0.89 DHFR (0.34) KDM4EDHFRHTR7
Hydrochloric Acid SCHEMBL1032561 0.88
Hydrochloric Acid SCHEMBL1030862 0.86 HEXA (0.31)
Hydrochloric Acid SCHEMBL1031151 0.86 KDM4E (0.32) KDM4EDHFRCNR1CNR2
Hydrochloric Acid SCHEMBL1032071 0.84 NPC1 (0.32) DHFR
Hydrochloric Acid SCHEMBL5071127 0.83 HTR7 (0.32) KDM4EHTR7CNR1CNR2
Hydrochloric Acid SCHEMBL1034725 0.81
Hydrochloric Acid SCHEMBL1032989 0.81 HTR7 (0.33) HTR7CNR1CNR2
Hydrochloric Acid SCHEMBL1032041 0.80 IKBKB (0.31)

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 KDM4E 4210/4885DHFR 3607/4885HTR7 1426/4885

“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.