Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5385539

C1=C(P(C2CCCCC2)C2CCCCC2)C([Ti+2]C2C(P(C3CCCCC3)C3CCCCC3)=Cc3c(-c4ccccc4)cccc32)c2cccc(-c3ccccc3)c21.[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 11)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 1/20 0.30
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PTGS2 P35354 1/20 0.30
CYP11B2 P19099 1/20 0.30
BCHE P06276 1/20 0.30
ROCK2 O75116 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 SCHEMBL5384003 0.87
Hydrochloric Acid SCHEMBL5397538 0.82 MEN1 (0.31) MEN1KMT2AALDH1A1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL5393073 0.82 MEN1 (0.31) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL5385545 0.80 ROCK2 (0.32) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL5393080 0.79 MEN1 (0.30) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL5397546 0.79 CHRNB2 (0.32) MEN1KMT2AALDH1A1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL5386969 0.79 CHRNB2 (0.31)
Hydrochloric Acid SCHEMBL5390137 0.78 CYP3A4 (0.31)
Hydrochloric Acid SCHEMBL5397653 0.77
Hydrochloric Acid SCHEMBL5381187 0.77 BCHE (0.34) BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214747-B2 Phosphorus substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-05-08 US claimed
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2005-10-27 US claimed
US-7214747-B2 Phosphorus substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-05-08 US disclosed
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2005-10-27 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-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization CCRL2, ARL1, OSBP2 ACHE 4524/4885MEN1 1786/4885KMT2A 3569/4885

“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.