Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5952974

CC(C)CC1=C(c2cccc3ccc4ccccc4c23)c2ccccc2C1[Zr+2]1(C2C(CC(C)C)=C(c3cccc4ccc5ccccc5c34)c3ccccc32)CC1.[Cl-].[Cl-]

nearest known ligand 0.30

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 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC18A2 Q05940 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 SCHEMBL5951873 0.87 SLC6A4 (0.34) DRD2SLC6A4
Hydrochloric Acid SCHEMBL5953226 0.83 SLC6A4 (0.34) DRD2SLC6A4
Hydrochloric Acid SCHEMBL5952749 0.83
Hydrochloric Acid SCHEMBL5951065 0.81 DRD2 (0.32) DRD2SLC6A4
Hydrochloric Acid SCHEMBL5951962 0.81 HPGD (0.33) DRD2SLC6A4
Hydrochloric Acid SCHEMBL8604890 0.77 SLC6A4 (0.36) DRD2SLC6A4
Hydrochloric Acid SCHEMBL2118017 0.71 CNR1 (0.35) DRD2SLC6A4
Hydrochloric Acid SCHEMBL5951453 0.70 NPC1 (0.33) DRD2SLC6A4
Hydrochloric Acid SCHEMBL7807241 0.70 HPGD (0.32) DRD2SLC6A4
Hydrochloric Acid SCHEMBL5951945 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7038070-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2006-05-02 US disclosed
US-6963017-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2005-11-08 US disclosed
EP-0968158-B1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM BASELL POLYOLEFINE GMBH (DE) 2005-08-10 EP disclosed
US-20050033076-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2005-02-10 US disclosed
US-20030009046-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2003-01-09 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 (2 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-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A DRD2 1803/4885SLC6A4 4673/4885SLC18A2 4211/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 DRD2 1860/4885SLC6A4 4703/4885SLC18A2 4277/4885

“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.