Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2995956

CC1=C([Zr+2](=C(c2cccc(C(F)(F)F)c2)c2cccc(C(F)(F)F)c2)c2cccc3c2Cc2ccccc2-3)C(C)C=C1C(C)(C)C.[Cl-].[Cl-]

nearest known ligand 0.32

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 7)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
CES2 O00748 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
GPBAR1 Q8TDU6 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 SCHEMBL3006106 0.91 CES2 (0.32) TAS1R3TAS1R1TAS1R2CES2GPBAR1
Hydrochloric Acid SCHEMBL139575 0.90 NPC1 (0.31)
Hydrochloric Acid SCHEMBL3000551 0.89
Hydrochloric Acid SCHEMBL4577531 0.88 ALDH1A1 (0.33) CES2CNR2
Hydrochloric Acid SCHEMBL3012436 0.88 RXFP1 (0.31) CES2GPBAR1
Hydrochloric Acid SCHEMBL2999934 0.88 CNR2 (0.31) CES2CNR2
Hydrochloric Acid SCHEMBL540460 0.86
Hydrochloric Acid SCHEMBL3010178 0.86 TAS1R3 (0.31) TAS1R3TAS1R1TAS1R2CES2
Hydrochloric Acid SCHEMBL3014182 0.83 NPC1 (0.32)
Hydrochloric Acid SCHEMBL2276937 0.83 CES2 (0.32) TAS1R3TAS1R1TAS1R2CES2

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-20100190941-A1 TRANSITION METAL COMPOUND, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER MITSUI CHEMICALS, INC. 2010-07-29 US disclosed
US-20090043057-A1 Transition Metal Compound, Catalyst for Olefin Polymerization, and Process for Producing Olefin Polymer MITSUI CHEMICALS , INC. 2009-02-12 US disclosed
EP-1900744-A1 TRANSITION METAL COMPOUND, OLEFIN POLYMERIZATION CATALYST, AND PROCESS FOR PRODUCING OLEFIN POLYMER Mitsui Chemicals, Inc. (JP) 2008-03-19 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-20090043057-A1 Transition Metal Compound, Catalyst for Olefin Polymerization, and Process for Producing Olefin Polymer OR10J3, PYM1, CCNE2 TAS1R3 1794/4885TAS1R1 1713/4885TAS1R2 1861/4885

“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.