Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2245745

CC(C)(C1=C([Zr+2]C2=C(C(C)(C)c3ccccc3)C=CC2)CC=C1)c1ccccc1.[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 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
ESR1 P03372 1/20 0.37
CYP3A4 P08684 1/20 0.37
ESR2 Q92731 1/20 0.37
CYP2B6 P20813 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.32
NR3C2 P08235 2/20 0.31
TAAR1 Q96RJ0 1/20 0.31
ALOX15 P16050 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 SCHEMBL2358777 0.88 CYP2B6 (0.37) ESR1ESR2CYP2B6MAPK1
Hydrochloric Acid SCHEMBL2245514 0.82 MEN1 (0.31) CYP2B6MEN1KMT2ATAAR1
Hydrochloric Acid SCHEMBL2357987 0.80 KCNN4 (0.30)
Hydrochloric Acid SCHEMBL2240349 0.79 KIF11 (0.32)
Hydrochloric Acid SCHEMBL29205577 0.76 ALDH1A1 (0.38) ALDH1A1ESR1CYP3A4ESR2CYP2B6
SCHEMBL28478551 0.74 ALDH1A1 (0.39) ALDH1A1ESR1CYP3A4ESR2CYP2B6
Hydrochloric Acid SCHEMBL2245918 0.73
Hydrochloric Acid SCHEMBL16568996 0.73 ALDH1A1 (0.38) ALDH1A1ESR1CYP3A4ESR2CYP2B6
Hydrochloric Acid SCHEMBL6814153 0.73 ALDH1A1 (0.38) ALDH1A1ESR1CYP3A4ESR2CYP2B6
SCHEMBL3838181 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207977-A1 METHOD FOR PRODUCING A-OLEFIN OLIGOMER, A-OLEFIN OLIGOMER, AND LUBRICATING OIL COMPOSITION IDEMITSU KOSAN CO., LTD. (JP) 2011-08-25 US disclosed
EP-2351722-A1 METHOD FOR PRODUCING -OLEFIN OLIGOMER, -OLEFIN OLIGOMER, AND LUBRICATING OIL COMPOSITION Idemitsu Kosan Co., Ltd. (JP) 2011-08-03 EP 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-20110207977-A1 METHOD FOR PRODUCING A-OLEFIN OLIGOMER, A-OLEFIN OLIGOMER, AND LUBRICATING OIL COMPOSITION MOGAT2, OSBP, OXER1 ALDH1A1 2083/4885ESR1 2277/4885CYP3A4 1391/4885

“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.