Hydrochloric Acid

Hydrochloric Acid

SCHEMBL10322356

CCC(CC)(C1=C([Ti+3])C=CC1)c1ccccc1.[Cl-].[Cl-].[Cl-]

nearest known ligand 0.36

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 6)

geneUniProtsupporting neighboursconfidence
CHRM3 known ✓ P20309 2/20 0.31
CHRM2 known ✓ P08172 1/20 0.31
CHRM1 known ✓ P11229 1/20 0.31
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
KCNN4 O15554 1/20 0.32

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 SCHEMBL16459779 0.79 ESR1 (0.37) ESR1ESR2
Hydrochloric Acid SCHEMBL10323771 0.79 KCNN4 (0.33) KCNN4
Hydrochloric Acid SCHEMBL16458786 0.77 KIF11 (0.37) CHRM3CHRM2CHRM1
Hydrochloric Acid SCHEMBL16458228 0.77 MAPKAPK2 (0.31)
Hydrochloric Acid SCHEMBL29205569 0.72 KCNN4 (0.34) ESR1ESR2KCNN4
Hydrochloric Acid SCHEMBL6813336 0.72 KCNN4 (0.34) ESR1ESR2KCNN4CHRM3CHRM2
Hydrochloric Acid SCHEMBL2244902 0.71 KCNN4 (0.33) ESR1ESR2KCNN4
Hydrochloric Acid SCHEMBL16459590 0.71 ESR1 (0.32) ESR1ESR2
SCHEMBL827345 0.71 ESR1 (0.56) ESR1ESR2KCNN4
Hydrochloric Acid SCHEMBL29205572 0.69 KCNN4 (0.38) ESR1ESR2KCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140012056-A1 METHOD FOR PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-09 US disclosed
US-20120184693-A1 ETHYLENE POLYMER PREPARATION METHOD SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-19 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 (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-20140012056-A1 METHOD FOR PRODUCING 1-HEXENE AP2A1, AP1M1, ME1 CHRM3 3216/4885CHRM2 1936/4885CHRM1 914/4885

“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.