Hydrochloric Acid

Hydrochloric Acid

SCHEMBL820407

Brc1ccc2c(c1)Cc1c-2ccc(Br)c1[Zr+2]C1=CC=CC1.[Cl-].[Cl-]

nearest known ligand 0.36

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 9)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.36
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
METAP1 P53582 1/20 0.32
TDP2 O95551 1/20 0.31
SRD5A1 P18405 1/20 0.31
SRD5A2 P31213 1/20 0.31

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 SCHEMBL816276 0.86 PNMT (0.33) PGR
Hydrochloric Acid SCHEMBL6230011 0.76 METAP1 (0.33) METAP1
Hydrochloric Acid SCHEMBL2481792 0.74
Hydrochloric Acid SCHEMBL7201177 0.72
Hydrochloric Acid SCHEMBL7197430 0.72 CA1 (0.37) CA1CA2CA4CA6METAP1
Hydrochloric Acid SCHEMBL7581936 0.72
Hydrochloric Acid SCHEMBL9068643 0.72 PGR (0.36) PGRCA1CA2CA4CA6
Hydrochloric Acid SCHEMBL2484389 0.71 PNMT (0.33) PGR
Hydrochloric Acid SCHEMBL2481590 0.71 PNMT (0.33) PGR
Hydrochloric Acid SCHEMBL27637603 0.71 KDR (0.33) PGRSRD5A2

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960411-B1 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2016-08-31 EP disclosed
US-8546595-B2 Halogen substituted heteroatom-containing metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-10-01 US disclosed
US-20120202956-A1 Halogen Substituted Heteroatom-Containing Metallocene Compounds for Olefin Polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2012-08-09 US disclosed
US-8173828-B2 Halogen substituted heteroatom-containing metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2012-05-08 US disclosed
US-20110288249-A1 Halogen Substituted Heteroatom-Containing Metallocene Compounds for Olefin Polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2011-11-24 US disclosed
EP-1963347-B1 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2011-10-19 EP disclosed
US-7868197-B2 Halogen substituted heteroatom-containing metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-01-11 US disclosed
US-7667064-B2 high weight average molecular weight while having a relatively narrow molecular weight distribution, resulting in high strength polyolefin; e.g. dimethylsilandiyl(eta 5-2-methyl-4-bromoinden-1-yl)(N-tert-butylamido)titanium dichloride EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-02-23 US disclosed
US-7557171-B2 Halogen substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-07-07 US disclosed
US-7550544-B2 Halogen substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-06-23 US disclosed
WO-2007070046-A1 HALOGEN SUBSTITUTED HETEROATOM-CONTAINING METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-06-21 WO disclosed
WO-2007070040-A1 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2007-06-21 WO disclosed
US-20070135595-A1 Halogen substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS, INC. 2007-06-14 US disclosed
US-20070135623-A1 Halogen substituted heteroatom-containing metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 US disclosed
US-20070135594-A1 Halogen substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 US disclosed
US-20070135593-A1 Halogen substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 US disclosed
US-20060183874-A1 Halogen substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-08-17 US disclosed
US-20060160967-A1 Halogen substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-07-20 US disclosed
WO-2006065843-A2 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-22 WO disclosed
WO-2006065906-A2 HALOGEN 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 (8 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-20070135623-A1 Halogen substituted heteroatom-containing metallocene compounds for olefin polymerization OPRM1, POLM, AP1M1 PGR 67/4885CA1 2962/4885CA2 4389/4885
US-20060183874-A1 Halogen substituted metallocene compounds for olefin polymerization B2M, CDYL, MLX PGR 1659/4885CA1 232/4885CA2 163/4885
US-20070135594-A1 Halogen substituted metallocene compounds for olefin polymerization MLX, AP1M1, AP2M1 PGR 2087/4885CA1 1286/4885CA2 3594/4885
US-20070135595-A1 Halogen substituted metallocene compounds for olefin polymerization AP2M1, AP1M1, CPNE4 PGR 2594/4885CA1 1445/4885CA2 3655/4885
US-20110288249-A1 Halogen Substituted Heteroatom-Containing Metallocene Compounds for Olefin Polymerization OPRM1, POLM, AP1M1 PGR 67/4885CA1 2962/4885CA2 4389/4885
US-20070135593-A1 Halogen substituted metallocene compounds for olefin polymerization ZKSCAN2, ZRANB2, ZC3H18 PGR 170/4885CA1 3497/4885CA2 4532/4885
US-20060160967-A1 Halogen substituted metallocene compounds for olefin polymerization OR10J3, ZRANB2, SLC39A3 PGR 348/4885CA1 3410/4885CA2 4284/4885
US-20120202956-A1 Halogen Substituted Heteroatom-Containing Metallocene Compounds for Olefin Polymerization OPRM1, POLM, AP1M1 PGR 67/4885CA1 2962/4885CA2 4389/4885

“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.