Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11026182

COc1cccc(OC)c1O[Ti+2]C1=CC=CC1.[Cl-].[Cl-]

nearest known ligand 0.37

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
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MAPK1 P28482 2/20 0.32
LMNA P02545 2/20 0.32
TP53 P04637 1/20 0.32

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 SCHEMBL397297 0.80
Hydrochloric Acid SCHEMBL395658 0.77 TSHR (0.33) CYP1A2CA1CA2LMNACYP3A4
Hydrochloric Acid SCHEMBL394711 0.76 CA2 (0.32) ALDH1A1CA2
Bromide SCHEMBL6312692 0.73 CA2 (0.32) ALDH1A1CA2
Fluoride Ion SCHEMBL6304345 0.73 CA2 (0.32) ALDH1A1CA2
Iodide SCHEMBL6307196 0.73 CA2 (0.32) ALDH1A1CA2
Hydrochloric Acid SCHEMBL395656 0.73 CA4 (0.37) CA4
Hydrochloric Acid SCHEMBL6304295 0.72 ALDH1A1 (0.37) MEN1KMT2AALDH1A1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL4360215 0.70
Hydrochloric Acid SCHEMBL6306103 0.70 CA1 (0.40) CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062134-B2 Half-metallocene compounds and catalyst compositions CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2015-06-23 US disclosed
US-20140243491-A1 Half-Metallocene Compounds and Catalyst Compositions CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2014-08-28 US disclosed
US-8759246-B2 Half-metallocene compounds and catalyst compositions CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2014-06-24 US disclosed
US-20130085060-A1 Half-Metallocene Compounds and Catalyst Compositions CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2013-04-04 US disclosed
US-8309748-B2 Half-metallocene compounds and catalyst compositions CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2012-11-13 US disclosed
US-20120190803-A1 HALF-METALLOCENE COMPOUNDS AND CATALYST COMPOSITIONS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2012-07-26 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-20120190803-A1 HALF-METALLOCENE COMPOUNDS AND CATALYST COMPOSITIONS POLM, AP2M1, GSTM2 SMN1; SMN2 2604/4885MEN1 698/4885KMT2A 777/4885

“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.