Hydrochloric Acid

Hydrochloric Acid

SCHEMBL16458917

CC(C)(C)C1=C(C(C)(c2ccccc2)c2ccccc2)CC=C1[Ti+3].[Cl-].[Cl-].[Cl-]

nearest known ligand 0.39

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 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
CYP2B6 P20813 1/20 0.33
MAPK1 P28482 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 SCHEMBL16458296 0.88 MAPK1 (0.31) CYP2B6MAPK1
Hydrochloric Acid SCHEMBL16459241 0.84
Hydrochloric Acid SCHEMBL16458099 0.81 ESR1 (0.36) ESR1ESR2CYP2B6MAPK1
Hydrochloric Acid SCHEMBL16459488 0.79 ESR1 (0.34) ESR1ESR2CYP2B6
Hydrochloric Acid SCHEMBL16458948 0.78 ESR1 (0.33) ESR1ESR2CYP2B6
Hydrochloric Acid SCHEMBL16458851 0.78 ESR1 (0.33) ESR1ESR2CYP2B6
Hydrochloric Acid SCHEMBL16458347 0.77 KIF11 (0.34) ESR2
Hydrochloric Acid SCHEMBL16458789 0.77 ESR1 (0.39) ESR1ESR2CYP2B6MAPK1
Hydrochloric Acid SCHEMBL16458142 0.75 KCNN4 (0.32) ESR1ESR2
Hydrochloric Acid SCHEMBL16458319 0.75 CYP1A2 (0.32) ESR1ESR2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140012056-A1 METHOD FOR PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-09 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-20140012056-A1 METHOD FOR PRODUCING 1-HEXENE AP2A1, AP1M1, ME1 ESR1 452/4885ESR2 641/4885CYP2B6 150/4885

“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.