Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5359828

Cc1cc(C(C)(C)C)cc2c1-c1ccc(C(C)(C)C)cc1C2[Zr+2]C1c2cc(C(C)(C)C)ccc2-c2c(C)cc(C(C)(C)C)cc21.[Cl-].[Cl-]

nearest known ligand 0.33

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
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 1/20 0.33
PLA2G1B P04054 1/20 0.33
NFKB1 P19838 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 1/20 0.31
ALOX5AP P20292 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 SCHEMBL5349951 0.85 ALDH1A1 (0.40) ALDH1A1NPC1PLA2G1BNFKB1CASP3
Fluoride Ion SCHEMBL1130952 0.81 ALDH1A1 (0.40) ALDH1A1NPC1PLA2G1BNFKB1CASP3
Hydrochloric Acid SCHEMBL5345635 0.78 ALDH1A1 (0.46) ALDH1A1NPC1PLA2G1BNFKB1CASP3
Hydrochloric Acid SCHEMBL5352215 0.77 ALDH1A1 (0.33) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL8009672 0.76 ALDH1A1 (0.34) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL7627446 0.76 ALDH1A1 (0.34) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL7608789 0.75 ALDH1A1 (0.33) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL27340069 0.75 ALDH1A1 (0.33) ALDH1A1NPC1PLA2G1BNFKB1CASP3
Methane SCHEMBL7937829 0.73 ALDH1A1 (0.38) ALDH1A1NPC1PLA2G1BNFKB1CASP3
Hydrochloric Acid SCHEMBL8857238 0.72 ALDH1A1 (0.35) ALDH1A1NPC1PLA2G1BNFKB1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0524624-A2 Organometallic fluorenyl compounds, preparation, and use PHILLIPS PETROLEUM COMPANY (US) 1993-01-27 EP claimed
US-7230128-B2 Organometallic fluorenyl compounds, preparations, and use PHILLIPS POTROLEUM COMPANY (US) 2007-06-12 US disclosed
US-20060122344-A1 Organometallic Fluorenyl Compounds, Preparations, and Use PHILLIPS PETROLEUM COMPANY (US) 2006-06-08 US disclosed
US-6420579-B1 SILYL, GERMANIUM OR TIN RADICALS WITH TITANIUM, ZIRCONIUM, HAFNIUM, VANADIUM, NIOBIUM AND TANTALUM METALS PHILLIPS PETROLEUM COMPANY 2002-07-16 US disclosed
US-6403734-B1 POLYMERIZING ALPHA-OLEFIN BY CONTACTING WITH CATALYST SYSTEM COMPRISING BRIDGED FLUORENYL METALLOCENE CONTAINING METAL OF GROUP 4 OR 5 AND SUITABLE COCATALYST PHILLIPS PETROLEUM COMPANY 2002-06-11 US disclosed
EP-0524624-B1 Use of organometallic flurorenyl compounds. PHILLIPS PETROLEUM CO (US) 2002-05-15 EP disclosed
EP-0666267-B1 Organometallic fluorenyl compounds, preparation, and use PHILLIPS PETROLEUM CO (US) 2001-04-18 EP disclosed
US-6162936-A Organometallic fluorenyl compounds, preparation, and use PHILLIPS PETROLEUM COMPANY (US) 2000-12-19 US disclosed
US-5571880-A CATALYSTS FOR POLYMERIZATION OF OLEFINS ESPECIALLY TO OBTAIN SYNDIOTACTIC POLYMERS PHILLIPS PETROLEUM COMPANY (US) 1996-11-05 US disclosed
EP-0666267-A2 Organometallic fluorenyl compounds, preparation, and use PHILLIPS PETROLEUM COMPANY (US) 1995-08-09 EP disclosed
US-5436305-A Preparing polymer catalysts by reaction of alkali metal alkyl and fluorenyl in solvent PHILLIPS PETROLEUM COMPANY (US) 1995-07-25 US disclosed
EP-0524624-A2 Organometallic fluorenyl compounds, preparation, and use PHILLIPS PETROLEUM COMPANY (US) 1993-01-27 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 (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-20060122344-A1 Organometallic Fluorenyl Compounds, Preparations, and Use HMBS, FDPS, SOD1 ALDH1A1 790/4885NPC1 1718/4885PLA2G1B 1880/4885

“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.