Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5071127

CCC1=Cc2c(-c3cccc4ccccc34)cc(C)c(C)c2C1[Zr+2]1(C2C(CC)=Cc3c(-c4cccc5ccccc45)cc(C)c(C)c32)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 10)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
HTR2C P28335 2/20 0.31
KDM4E B2RXH2 1/20 0.30
HTR1A P08908 2/20 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 SCHEMBL1030958 0.90 HTR7 (0.32) HTR7CNR1CNR2
Hydrochloric Acid SCHEMBL1030887 0.89 CA12 (0.34) HTR7CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL1032989 0.87 HTR7 (0.33) HTR7CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL1031608 0.85 CA12 (0.32) HTR7CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL1033766 0.83 KDM4E (0.35) HTR7CNR1CNR2KDM4E
Hydrochloric Acid SCHEMBL1033332 0.83
Hydrochloric Acid SCHEMBL1031151 0.83 KDM4E (0.32) CNR1CNR2HTR2CKDM4E
Hydrochloric Acid SCHEMBL1031236 0.80 CHRM3 (0.30)
Hydrochloric Acid SCHEMBL1028301 0.80 CRHR1 (0.30)
Hydrochloric Acid SCHEMBL4658169 0.79 SLC6A4 (0.35) HTR7KDM4EHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HTR7 1426/4885CA12 375/4885CA1 556/4885

“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.