Hydrochloric Acid

Hydrochloric Acid

SCHEMBL722083

Cc1cc2c(-c3ccccc3)ccccc-2c1[Ti+2]1(c2c(C)cc3c(-c4ccccc4)ccccc2-3)CC1.[Cl-].[Cl-]

nearest known ligand 0.38

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
ESR2 Q92731 1/20 0.38
CYP2A6 P11509 2/20 0.36
CYP2B6 P20813 1/20 0.36
NISCH Q9Y2I1 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
PTGS2 P35354 1/20 0.34
BACE1 P56817 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
MCOLN3 Q8TDD5 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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 SCHEMBL715093 0.83 NISCH (0.38) NISCHSMN1; SMN2ALDH1A1MEN1MAPT
Hydrochloric Acid SCHEMBL718400 0.81 PTGS2 (0.35) NISCHKDM4EPTGS2PDCD1CD274
Hydrochloric Acid SCHEMBL714723 0.77 DHFR (0.38) LMNAMAPTHPGD
Hydrochloric Acid SCHEMBL27629774 0.72 ESR2 (0.41) ESR2CYP2A6CYP2B6NISCHKDM4E
Hydrochloric Acid SCHEMBL4444061 0.70 ESR2 (0.40) ESR2CYP2A6CYP2B6NISCHKDM4E
SCHEMBL4830408 0.69 ESR2 (0.60) ESR2CYP2A6CYP2B6KDM4EBACE1
SCHEMBL1476609 0.68 ALDH1A1 (0.58) CYP2A6NISCHPTGS2BACE1PDCD1
Hydrochloric Acid SCHEMBL714599 0.68 ESR2 (0.38) ESR2CYP2A6CYP2B6NISCHKDM4E
Hydrochloric Acid SCHEMBL4444069 0.67 ESR2 (0.40) ESR2CYP2A6CYP2B6KDM4EPTGS2
SCHEMBL6825024 0.66 BACE1 (0.52) CYP2A6NISCHPTGS2BACE1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8357765-B2 Process for producing catalyst component for addition polymerization SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-22 US disclosed
US-8288490-B2 Process for producing catalyst component for addition polymerization SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-16 US disclosed
US-20120053306-A1 PROCESS FOR PRODUCING CATALYST COMPONENT FOR ADDITION POLYMERIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-01 US disclosed
US-20120053311-A1 PROCESS FOR PRODUCING CATALYST COMPONENT FOR ADDITION POLYMERIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-01 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-20120053306-A1 PROCESS FOR PRODUCING CATALYST COMPONENT FOR ADDITION POLYMERIZATION PPOX, SOD1, AP1M1 ESR2 4613/4885CYP2A6 1013/4885CYP2B6 939/4885

“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.