Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6890219

C1=C(C2CCCCC2)C([Zr+2]2(C3C(C4CCCCC4)=Cc4c(-c5ccccc5)cccc43)CCC2)c2cccc(-c3ccccc3)c21.[Cl-].[Cl-]

nearest known ligand 0.36

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 20)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 1/20 0.31
PTGS2 P35354 1/20 0.36
CYP11B2 P19099 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
POLB P06746 1/20 0.33
CASP3 P42574 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
PTPN5 P54829 3/20 0.32
PTPN2 P17706 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PTPRC P08575 1/20 0.31
PTPRF P10586 1/20 0.31
PTPN1 P18031 1/20 0.31

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 SCHEMBL6891635 0.99 PTGS2 (0.34) PTGS2CYP11B2CHRNB2CHRNA4POLB
Hydrochloric Acid SCHEMBL6892511 0.96 PTGS2 (0.36) PTGS2CYP11B2CHRNB2CHRNA4POLB
Hydrochloric Acid SCHEMBL6890618 0.95 PTGS2 (0.35) PTGS2CYP11B2CHRNB2CHRNA4POLB
Hydrochloric Acid SCHEMBL6890287 0.89 PTGS2 (0.36) PTGS2
Hydrochloric Acid SCHEMBL6892905 0.88 PTGS2 (0.34) PTGS2ALDH1A1
Hydrochloric Acid SCHEMBL6889741 0.86 PTGS2 (0.34) PTGS2ALDH1A1ADORA3ADORA1
Hydrochloric Acid SCHEMBL6891255 0.86 PTGS2 (0.34) PTGS2CYP11B2PTPN5PTPN2
Hydrochloric Acid SCHEMBL6889821 0.86 PTGS2 (0.34) PTGS2ALDH1A1
Hydrochloric Acid SCHEMBL6892013 0.86 PTGS2 (0.34) PTGS2PTPRCPTPRFPTPN1CDC25B
Hydrochloric Acid SCHEMBL6889717 0.86 PTGS2 (0.34) PTGS2

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-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

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-20030199703-A1 Method for producing alkyl-bridged ligand systems and transition metal compounds ABL1, ICMT, ORAI2 ACHE 2601/4885PTGS2 1334/4885CYP11B2 1145/4885

“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.