Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6890558

COc1ccc(-c2cccc3c2C=C(C(C)(C)C)C3[Zr+2]2(C3C(C(C)(C)C)=Cc4c(-c5ccc(OC)cc5)cccc43)CCC2)cc1.[Cl-].[Cl-]

nearest known ligand 0.34

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
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
ABL1 P00519 1/20 0.33
ABCB1 P08183 1/20 0.33
BCR P11274 1/20 0.33
SCN9A Q15858 1/20 0.32
SYK P43405 1/20 0.32
AURKB Q96GD4 1/20 0.32
INCENP Q9NQS7 1/20 0.32
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP12 P39900 1/20 0.31
MMP14 P50281 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
HTR1A P08908 2/20 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 SCHEMBL6892793 0.95 CYP3A4 (0.35) CYP3A4CYP2C9DRD2DRD1DRD4
Hydrochloric Acid SCHEMBL6890861 0.87 BRD4 (0.33)
Hydrochloric Acid SCHEMBL6889645 0.87
Hydrochloric Acid SCHEMBL6893101 0.87 CHRNB2 (0.30) HTR1AHTR7
Hydrochloric Acid SCHEMBL6892012 0.85 CYP3A4 (0.33) CYP3A4CYP2C9DRD2DRD1DRD4
Hydrochloric Acid SCHEMBL6892455 0.85 CYP3A4 (0.35) CYP3A4CYP2C9DRD2DRD1DRD4
Hydrochloric Acid SCHEMBL6892475 0.84 BRD4 (0.31)
Hydrochloric Acid SCHEMBL6890272 0.84 EDNRB (0.31) EDNRBEDNRA
Hydrochloric Acid SCHEMBL6891548 0.84 CYP11B1 (0.32) DRD2
Hydrochloric Acid SCHEMBL6893738 0.82 FFAR2 (0.30)

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 CYP3A4 107/4885CYP2C9 933/4885DRD2 1104/4885

“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.