Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3017100

CCC1=C([Zr+2](=C(c2cccc(C(F)(F)F)c2)c2cccc(C(F)(F)F)c2)C2c3ccc(C(C)(C)C)cc3-c3cc(C(C)(C)C)ccc32)C(CC)C=C1C(C)(C)C.[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 5)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 2/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
NOD2 Q9HC29 1/20 0.30
NOD1 Q9Y239 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 SCHEMBL3001113 0.94 ACHE (0.31) ACHEALDH1A1POLB
Hydrochloric Acid SCHEMBL3009651 0.92 NOD2 (0.34) ALDH1A1POLBNOD2NOD1
Hydrochloric Acid SCHEMBL3014095 0.91 ACHE (0.33) ACHEALDH1A1POLB
Hydrochloric Acid SCHEMBL3015747 0.90
Hydrochloric Acid SCHEMBL3011630 0.88
Hydrochloric Acid SCHEMBL2999706 0.85 NPC1 (0.30)
Hydrochloric Acid SCHEMBL3005655 0.85 ACHE (0.32) ACHEALDH1A1POLB
Hydrochloric Acid SCHEMBL2999415 0.84
Hydrochloric Acid SCHEMBL3012431 0.83
Hydrochloric Acid SCHEMBL3009974 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190941-A1 TRANSITION METAL COMPOUND, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER MITSUI CHEMICALS, INC. 2010-07-29 US disclosed
US-20090043057-A1 Transition Metal Compound, Catalyst for Olefin Polymerization, and Process for Producing Olefin Polymer MITSUI CHEMICALS , INC. 2009-02-12 US disclosed
EP-1900744-A1 TRANSITION METAL COMPOUND, OLEFIN POLYMERIZATION CATALYST, AND PROCESS FOR PRODUCING OLEFIN POLYMER Mitsui Chemicals, Inc. (JP) 2008-03-19 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-20090043057-A1 Transition Metal Compound, Catalyst for Olefin Polymerization, and Process for Producing Olefin Polymer OR10J3, PYM1, CCNE2 ACHE 4168/4885ALDH1A1 4123/4885POLB 809/4885

“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.