Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3154111

C1=CCC([Zr+](C=Cc2cccc3ccccc23)C2=CC=CC2)=C1.[Cl-]

nearest known ligand 0.43

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 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 6/20 0.41
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
RXRA P19793 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
NPY1R P25929 1/20 0.36
MAPK1 P28482 1/20 0.36
NPY2R P49146 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1B1 Q16678 1/20 0.36
SMPD2 O60906 1/20 0.36

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 SCHEMBL3283374 1.00 CHAT (0.41) CHATMTNR1AMTNR1BRXRAPTGS1
Hydrochloric Acid SCHEMBL3159932 0.75 CYP11B1 (0.35) CHATALDH1A1MAPTMAPK1
Hydrochloric Acid SCHEMBL3160506 0.75 KDM4E (0.39) CHATMTNR1AMTNR1BPTGS1PTGS2
Hydrochloric Acid SCHEMBL3310652 0.75 KDM4E (0.39) CHATMTNR1AMTNR1BPTGS1PTGS2
Hydrochloric Acid SCHEMBL3152334 0.72 NR4A1 (0.35) HDAC8ALDH1A1CYP1A1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL3152331 0.72 NR4A1 (0.35) HDAC8ALDH1A1CYP1A1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL3166327 0.70 ALOX5 (0.39) PTGS1PTGS2MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL3166332 0.70 ALOX5 (0.39) PTGS1PTGS2MAPTSMN1; SMN2
SCHEMBL10706687 0.68 CHAT (0.62) CHATMTNR1AMTNR1BRXRAPTGS1
SCHEMBL10706694 0.68 CHAT (0.62) CHATMTNR1AMTNR1BRXRAPTGS1

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-9163046-B2 Process for producing substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-10-20 US disclosed
US-20100113717-A1 Process For Producing Substituted Metallocene Compounds For Olefin Polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2010-05-06 US disclosed
US-7709670-B2 Process for producing substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-05-04 US disclosed
EP-1866322-B1 PROCESS FOR PRODUCING SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2010-02-24 EP disclosed
EP-1866322-A2 PROCESS FOR PRODUCING SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION ExxonMobil Chemical Patents Inc. (US) 2007-12-19 EP disclosed
US-20060160968-A1 Process for producing substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-07-20 US disclosed
WO-2006065844-A2 PROCESS FOR PRODUCING SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-22 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 (2 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-20100113717-A1 Process For Producing Substituted Metallocene Compounds For Olefin Polymerization OSBP, OSBPL3, OSBP2 CHAT 4182/4885MTNR1A 3910/4885MTNR1B 4146/4885
US-20060160968-A1 Process for producing substituted metallocene compounds for olefin polymerization OSBP, OSBPL3, OSBP2 CHAT 4182/4885MTNR1A 3910/4885MTNR1B 4146/4885

“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.