Hydrochloric Acid

Hydrochloric Acid

SCHEMBL819628

C1=[N+](C23CC4CC(CC(C4)C2)C3)CCN1C12CC3CC(CC(C3)C1)C2.[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 3)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL819284 0.98 SMN1; SMN2 (0.31) SMN1; SMN2MAPK1HSD17B10
SCHEMBL820220 0.92 — —
Hydrochloric Acid SCHEMBL1178810 0.67 — —
SCHEMBL1046898 0.65 — —
SCHEMBL1178759 0.65 ALDH1A1 (0.30) —
SCHEMBL469272 0.61 SMN1; SMN2 (0.39) SMN1; SMN2MAPK1HSD17B10
Bromide SCHEMBL588925 0.59 SMN1; SMN2 (0.38) SMN1; SMN2MAPK1HSD17B10
Bromide SCHEMBL28328295 0.59 SMN1; SMN2 (0.38) SMN1; SMN2MAPK1HSD17B10
Water SCHEMBL28160101 0.59 SMN1; SMN2 (0.38) SMN1; SMN2MAPK1HSD17B10
Hydrochloric Acid SCHEMBL739942 0.59 SMN1; SMN2 (0.38) SMN1; SMN2MAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2574187-B1 SQUALANE AND ISOSQUALANE COMPOSITIONS AND METHODS FOR PREPARING THE SAME AMYRIS INC (US) 2019-09-11 — — EP disclosed
US-8586814-B2 Squalane and isosqualane compositions and methods for preparing the same Amyris, Inc. (US) 2013-11-19 — — US disclosed
US-20130109884-A1 PROCESS FOR PRODUCING ALPHA-KETOCARBOXYLIC ACID SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-02 — — US disclosed
EP-2585427-A1 PROCESS FOR PRODUCING ALPHA-KETOCARBOXYLIC ACID Sumitomo Chemical Company Limited (JP) 2013-05-01 — — EP disclosed
EP-2574187-A1 SQUALANE AND ISOSQUALANE COMPOSITIONS AND METHODS FOR PREPARING THE SAME Amyris Biotechnologies, Inc. (US) 2013-04-03 — — EP disclosed
US-20130072713-A1 METHOD FOR PRODUCING METHIONINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-21 — — US disclosed
WO-2012176930-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-12-27 — — WO disclosed
WO-2011162404-A1 PROCESS FOR PRODUCING ALPHA-KETOCARBOXYLIC ACID SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-29 — — WO disclosed
WO-2011146837-A1 SQUALANE AND ISOSQUALANE COMPOSITIONS AND METHODS FOR PREPARING THE SAME Amyris, Inc. (US) 2011-11-24 — — WO disclosed
US-20110287988-A1 SQUALANE AND ISOSQUALANE COMPOSITIONS AND METHODS FOR PREPARING THE SAME EUAGORE, LLC 2011-11-24 — — US disclosed
US-7964758-B2 Process for production of 2-(substituted phenyl)-3,3,3-trifluoropropene compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-06-21 — — US disclosed
US-20100160683-A1 Process for Production of 2-(Substituted Phenyl)-3,3,3-Trifluoropropene Compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-06-24 — — 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 (4 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-20110287988-A1 SQUALANE AND ISOSQUALANE COMPOSITIONS AND METHODS FOR PREPARING THE SAME SQLE, FDFT1, COASY SMN1; SMN2 2616/4885MAPK1 4680/4885HSD17B10 44/4885
US-20130072713-A1 METHOD FOR PRODUCING METHIONINE MTR, MGMT, BBOX1 SMN1; SMN2 3007/4885MAPK1 2909/4885HSD17B10 370/4885
US-20130109884-A1 PROCESS FOR PRODUCING ALPHA-KETOCARBOXYLIC ACID ALDH18A1, MCCC2, ALDH7A1 SMN1; SMN2 4535/4885MAPK1 1580/4885HSD17B10 104/4885
US-20100160683-A1 Process for Production of 2-(Substituted Phenyl)-3,3,3-Trifluoropropene Compound PEX3, SCO2, LPO SMN1; SMN2 2168/4885MAPK1 320/4885HSD17B10 2641/4885

“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.

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