Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5077633

CCCCc1ccc(C(c2ccc(CCCC)cc2)=[Zr+2](C2=CC=CC2)C2c3cc(C)ccc3-c3ccc(C)cc32)cc1.[Cl-].[Cl-]

nearest known ligand 0.35

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 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RARB P10826 3/20 0.34
PLK1 P53350 8/20 0.33
PLK3 Q9H4B4 2/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
THRA P10827 2/20 0.30
THRB P10828 2/20 0.30
MPL P40238 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 SCHEMBL2861858 0.87 PLK1 (0.34) RARBPLK1MPL
Hydrochloric Acid SCHEMBL5083495 0.87 MEN1 (0.30)
Hydrochloric Acid SCHEMBL5084267 0.86 TRPV1 (0.34) RARBPLK1CA1CA2THRA
Hydrochloric Acid SCHEMBL5077649 0.86
Hydrochloric Acid SCHEMBL2865682 0.84 PLK1 (0.32) RARBPLK1
Hydrochloric Acid SCHEMBL398864 0.84 RARB (0.32) RARBPLK1
Hydrochloric Acid SCHEMBL454870 0.82 TSHR (0.31) SMN1; SMN2
Hydrochloric Acid SCHEMBL2863878 0.81 PLK1 (0.32) PLK1
Hydrochloric Acid SCHEMBL5083470 0.81 NPC1 (0.32) NPC1RAB9A
Hydrochloric Acid SCHEMBL2857594 0.79 NPC1 (0.32) NPC1RAB9A

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
US-20120135903-A1 LUBRICATING OIL COMPOSITION MITSUI CHEMICALS, INC. 2012-05-31 US disclosed
US-7393965-B2 Crosslinked metallocene compound for olefin polymerization and method of polymerizing olefin with the same MITSUI CHEMICALS, INC. (JP) 2008-07-01 US disclosed
US-20060161013-A1 Crosslinked metallocene compound for olefin polymerization and method of polymerizing olefin with the same MITSUI CHEMICALS, INC. (JP) 2006-07-20 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-20060161013-A1 Crosslinked metallocene compound for olefin polymerization and method of polymerizing olefin with the same PCNA, MACF1, PIN1 TP53 3979/4885NPC1 3370/4885POLB 233/4885

“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.