Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4891746

CC1=C([Hf+2]C2c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)CC=C1.[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 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 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

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 SCHEMBL16424583 0.81 ALDH1A1 (0.35) ALDH1A1NPC1PLA2G1BNFKB1CASP3
Hydrochloric Acid SCHEMBL16424201 0.81
Hydrochloric Acid SCHEMBL4890087 0.77 GPR3 (0.32)
Hydrochloric Acid SCHEMBL6228371 0.75 NPC1 (0.31) ALDH1A1NPC1PLA2G1BNFKB1CASP3
Hydrochloric Acid SCHEMBL4891743 0.73 NPC1 (0.33) ALDH1A1NPC1PLA2G1BNFKB1CASP3
Hydrochloric Acid SCHEMBL7545963 0.73 ALDH1A1 (0.33) ALDH1A1NPC1PLA2G1BNFKB1CASP3
Hydrochloric Acid SCHEMBL7622282 0.72 NPC1 (0.30) ALDH1A1NPC1PLA2G1BNFKB1CASP3
Hydrochloric Acid SCHEMBL7545985 0.71 ALDH1A1 (0.31) ALDH1A1NPC1PLA2G1BNFKB1CASP3
Hydrochloric Acid SCHEMBL4465605 0.69
Hydrochloric Acid SCHEMBL2871579 0.68 NPC1 (0.31) NPC1RAB9A

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-8373011-B2 Used in a base oil of lubricant having good low temperature fluidity, low evaporativity, and thermal stability and oxidation stability IDEMITSU KOSAN CO., LTD. (JP) 2013-02-12 US disclosed
US-20080146469-A1 Process for producing saturated aliphatic hydrocarbon compound, and lubricant composition IDEMITSU KOSAN CO., LTD. (JP) 2008-06-19 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-20080146469-A1 Process for producing saturated aliphatic hydrocarbon compound, and lubricant composition ALOX15, ALOX12, ALOX15B ALDH1A1 2187/4885NPC1 2750/4885PLA2G1B 1264/4885

“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.