Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1033508

Cc1cc(C)c2c(c1-c1cccc3ccccc13)C=C(C(C)C)C2[Zr+2]1(C2C(C(C)C)=Cc3c(-c4cccc5ccccc45)c(C)cc(C)c32)CC1.[Cl-].[Cl-]

nearest known ligand 0.31

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 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
DHFR P00374 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
FPR1 P21462 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
GPR55 Q9Y2T6 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
Hydrochloric Acid SCHEMBL1032351 0.89 DHFR (0.33) SMN1; SMN2DHFRHTR2AHTR2CKDM4E
Hydrochloric Acid SCHEMBL1032805 0.88
Hydrochloric Acid SCHEMBL1032071 0.86 NPC1 (0.32) SMN1; SMN2NPC1MAPTRAB9ADHFR
Hydrochloric Acid SCHEMBL1031151 0.85 KDM4E (0.32) SMN1; SMN2DHFRHTR2AHTR2CKDM4E
Hydrochloric Acid SCHEMBL1031761 0.84 NPC1 (0.32) SMN1; SMN2NPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL1028113 0.83
Hydrochloric Acid SCHEMBL1031608 0.83 CA12 (0.32) SMN1; SMN2NPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL1032686 0.82 KDM4E (0.31) MAPTKDM4ENPSR1
Hydrochloric Acid SCHEMBL1028613 0.81 CNR1 (0.31) SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL1032185 0.79 NISCH (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567560-B1 ORGANOMETALLIC TRANSITION METAL COMPOUND, BISCYCLOPENTADIENYL LIGAND SYSTEM, CATALYST SYSTEM AND PROCESS FOR PREPARING POLYOLEFINS BASELL POLYOLEFINE GMBH (DE) 2011-01-19 EP disclosed
US-7405261-B2 Organometallic transition metal compound, biscyclopentadienyl ligand system, catalyst system and process for preparing polyolefins BASELL POLYOLEFINE GMBH (DE) 2008-07-29 US disclosed
US-20060122345-A1 Organometallic transition metal compound, biscyclopentadienyl ligand system, catalyst system and process for preparing polyolefins BASSELL POLYOLEFINE GMBH (DE) 2006-06-08 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-20060122345-A1 Organometallic transition metal compound, biscyclopentadienyl ligand system, catalyst system and process for preparing polyolefins C1R, CBR3, CBR1 SMN1; SMN2 3655/4885NPC1 2562/4885MAPT 4478/4885

“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.