Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5907970

C1=C2CCCCC2([Ti+2]C23CCCCC2=Cc2ccccc23)c2ccccc21.[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 3)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
MAPT P10636 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 SCHEMBL5845717 0.73 KDM1A (0.35) KDM1AADORA3
SCHEMBL11618225 0.70 KDM1A (0.35) KDM1A
Hydrochloric Acid SCHEMBL5844760 0.64
Hydrochloric Acid SCHEMBL2780496 0.63 MEN1 (0.30) MAPT
Hydrochloric Acid SCHEMBL1129489 0.63
SCHEMBL30676363 0.58 HTR2A (0.36)
SCHEMBL30676639 0.57 HTR2A (0.35)
SCHEMBL29804959 0.57 PGR (0.37)
SCHEMBL29804768 0.57 GPR84 (0.35)
SCHEMBL7946491 0.57 ESR1 (0.35) ADORA3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252895-A1 Metallocene compounds and use thereof in catalysts for the polymerization of olefins BASELL TECHNOLOGY COMPANY B.V. 2006-11-09 US disclosed
US-20030148877-A1 Metallocenes and catalysts for olefin-polymerisation BASELL TECHNOLOGY COMPANY BV (NL) 2003-08-07 US disclosed
EP-0952978-B1 METALLOCENES AND CATALYSTS FOR OLEFIN-POLYMERISATION BASELL POLYOLEFINE GMBH (DE) 2003-01-22 EP disclosed
US-6451724-B1 BIS(N-METHYL-5,10-DIHYDROINDENO(1,2-B)INDOL-10 -YL)TITANIUM DICHLORIDE BASELL TECHNOLOGY COMPANY BV (NL) 2002-09-17 US disclosed
EP-0702687-B1 METALLOCENE COMPOUNDS AND USE THEREOF IN CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL TECHNOLOGY CO BV (NL) 2001-12-05 EP disclosed
US-6211108-B1 Metallocene compounds and use thereof in catalysts for the polymerization of olefins MONTELL TECHNOLOGY COMPANY BV (NL) 2001-04-03 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-20030148877-A1 Metallocenes and catalysts for olefin-polymerisation MT-CO1, CPNE4, MT-CO3 KDM1A 1465/4885ADORA3 4381/4885MAPT 4246/4885
US-20060252895-A1 Metallocene compounds and use thereof in catalysts for the polymerization of olefins CPNE4, OR10J3, ORC3 KDM1A 3162/4885ADORA3 4754/4885MAPT 2889/4885

“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.