Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5987743

CCCCCCCC/C=C\CCCCCCCCOC(=O)c1ccc[n+](C)c1.[Cl-]

nearest known ligand 0.53

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 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TSHR P16473 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
STS P08842 5/20 0.44

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
Iodide SCHEMBL5986679 0.98 LMNA (0.49) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL10257278 0.91 LMNA (0.57) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL5987270 0.88 LMNA (0.41) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL10256807 0.86 L3MBTL1 (0.55) LMNATSHRL3MBTL1CYP3A4MAPK1
Iodide SCHEMBL2761176 0.85 L3MBTL1 (0.54) LMNATSHRL3MBTL1CYP3A4MAPK1
SCHEMBL28686609 0.82 TDP1 (0.65) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL3200587 0.82 TDP1 (0.65) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL3200610 0.82 TDP1 (0.65) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL15080523 0.82 TDP1 (0.65) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL2761345 0.81 STS (0.48) LMNAALDH1A1MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060173053-A1 Basic esters of fatty alcohols and their use as anti-inflammatory or immunomodulatory agents YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2006-08-03 US claimed
EP-1551495-A2 BASIC ESTERS OF FATTY ALCOHOLS AND THEIR USE AS ANTI-INFLAMMATORY OR IMMUNOMODULATORY AGENTS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2005-07-13 EP claimed
WO-2004032824-A2 BASIC ESTERS OF FATTY ALCOHOLS AND THEIR USE AS ANTI-INFLAMMATORY OR IMMUNOMODULATORY AGENTS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2004-04-22 WO claimed
US-8987263-B2 Basic esters of fatty alcohols and their use as anti-inflammatory or immunomodulatory agents YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2015-03-24 US disclosed
US-20060173053-A1 Basic esters of fatty alcohols and their use as anti-inflammatory or immunomodulatory agents YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2006-08-03 US disclosed
EP-1551495-A2 BASIC ESTERS OF FATTY ALCOHOLS AND THEIR USE AS ANTI-INFLAMMATORY OR IMMUNOMODULATORY AGENTS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2005-07-13 EP disclosed
WO-2004032824-A2 BASIC ESTERS OF FATTY ALCOHOLS AND THEIR USE AS ANTI-INFLAMMATORY OR IMMUNOMODULATORY AGENTS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2004-04-22 WO 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-20060173053-A1 Basic esters of fatty alcohols and their use as anti-inflammatory or immunomodulatory agents ALOX12, ALOX15, ALOX15B LMNA 3706/4885ALDH1A1 447/4885MAPT 4556/4885

“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.