Hydrochloric Acid

Hydrochloric Acid

SCHEMBL712477

CC(C)(C)c1ccc2c(c1)C([Ti+2](C1=CC=CC1)=C(c1ccccc1)c1ccccc1)c1cc(C(C)(C)C)ccc1-2.[Cl-].[Cl-]

nearest known ligand 0.31

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 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PLA2G1B P04054 1/20 0.31
NFKB1 P19838 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ATG4B Q9Y4P1 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 SCHEMBL712612 0.91 CNR1 (0.34) ALDH1A1
Hydrochloric Acid SCHEMBL716978 0.91 KCNK9 (0.32) NPC1ALDH1A1PLA2G1BNFKB1CASP3
Hydrochloric Acid SCHEMBL716166 0.90 NPC1 (0.30) NPC1ALDH1A1PLA2G1BNFKB1CASP3
Hydrochloric Acid SCHEMBL720231 0.90 NPC1 (0.32) NPC1RAB9A
Hydrochloric Acid SCHEMBL714685 0.85 CNR1 (0.36)
Hydrochloric Acid SCHEMBL715324 0.85 TSHR (0.31)
Hydrochloric Acid SCHEMBL719841 0.84
Hydrochloric Acid SCHEMBL715543 0.84 KMO (0.31)
Hydrochloric Acid SCHEMBL5081196 0.84 ALDH1A1 (0.31) ALDH1A1
Hydrochloric Acid SCHEMBL820388 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8357765-B2 Process for producing catalyst component for addition polymerization SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-22 US disclosed
EP-2511305-A1 Bridged metallocene compound for olefin polymerization and method of polymerizing olefin using the same Mitsui Chemicals, Inc. (JP) 2012-10-17 EP disclosed
US-8288490-B2 Process for producing catalyst component for addition polymerization SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-16 US disclosed
EP-2465878-A1 Bridged metallocene compound for olefin polymerization and method of polymerizing olefin using the same Mitsui Chemicals, Inc. (JP) 2012-06-20 EP disclosed
EP-2465879-A1 Bridged metallocene compound for olefin polymerization and method of polymerizing olefin using the same Mitsui Chemicals, Inc. (JP) 2012-06-20 EP disclosed
US-20120053306-A1 PROCESS FOR PRODUCING CATALYST COMPONENT FOR ADDITION POLYMERIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-01 US disclosed
US-20120053311-A1 PROCESS FOR PRODUCING CATALYST COMPONENT FOR ADDITION POLYMERIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-01 US disclosed
US-7393965-B2 Crosslinked metallocene compound for olefin polymerization and method of polymerizing olefin with the same MITSUI CHEMICALS, INC. (JP) 2008-07-01 US disclosed
US-20060161013-A1 Crosslinked metallocene compound for olefin polymerization and method of polymerizing olefin with the same MITSUI CHEMICALS, INC. (JP) 2006-07-20 US disclosed
EP-1548018-A1 CROSSLINKED METALLOCENE COMPOUND FOR OLEFIN POLYMERIZATION AND METHOD OF POLYMERIZING OLEFIN WITH THE SAME Mitsui Chemicals, Inc. (JP) 2005-06-29 EP disclosed
US-6207774-B1 COPOLYMERIZATION OF ETHYLENE WITH AN .ALPHA.-OLEFIN HAVING THREE OR MORE CARBONS BY USE OF AN OLEFIN POLYMERIZATION CATALYST CONTAINING A METALLOCENE COMPOUND, AN IONIZING IONIC COMPOUD, AND AN ORGANOALUMINUM COMPOUNDTHE METALLO TOSOH CORPORATION (JP) 2001-03-27 US disclosed
EP-0612769-B1 Process for producing ethylene alpha-olefin copolymer TOSOH CORP (JP) 1997-11-12 EP disclosed
EP-0648786-B1 Process for producing alpha-olefin polymer TOSOH CORP (JP) 1997-07-16 EP disclosed
US-5576259-A POLYMERIZATION CATALYST INCLUDING METALLOCENE COMPOUND, IONIC COMPOUND, ORGANOALUMINUM COMPOUND, AND LEWIS BASE TOSOH CORPORATION (JP) 1996-11-19 US disclosed
EP-0653445-A1 Ethylene/alpha-olefin copolymer Tosoh Corporation (JP) 1995-05-17 EP disclosed
EP-0648786-A1 Process for producing alpha-olefin polymer Tosoh Corporation (JP) 1995-04-19 EP disclosed
EP-0612769-A1 Process for producing ethylene alpha-olefin copolymer TOSOH CORPORATION (JP) 1994-08-31 EP 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-20060161013-A1 Crosslinked metallocene compound for olefin polymerization and method of polymerizing olefin with the same PCNA, MACF1, PIN1 NPC1 3370/4885ALDH1A1 2154/4885PLA2G1B 3869/4885
US-20120053306-A1 PROCESS FOR PRODUCING CATALYST COMPONENT FOR ADDITION POLYMERIZATION PPOX, SOD1, AP1M1 NPC1 4275/4885ALDH1A1 1442/4885PLA2G1B 3265/4885

“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.