Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6889672

COc1ccc(-c2cccc3c2C=C(C2CCCCC2)C3[Zr+2]2(C3C(C4CCCCC4)=Cc4c(-c5ccc(OC)cc5)cccc43)C3CCCCC32)cc1.[Cl-].[Cl-]

nearest known ligand 0.34

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
PTGS2 P35354 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
ABL1 P00519 1/20 0.33
ABCB1 P08183 1/20 0.33
BCR P11274 1/20 0.33
HTR1A P08908 2/20 0.32
HTR7 P34969 2/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
ADORA3 P0DMS8 1/20 0.32

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 SCHEMBL6886271 0.99 CYP3A4 (0.34) PTGS2ALDH1A1HPGDHSD17B10KDM4E
Hydrochloric Acid SCHEMBL6891109 0.88 PTGS2 (0.35) PTGS2ALDH1A1HPGDHSD17B10KDM4E
Hydrochloric Acid SCHEMBL6885603 0.87 PTGS2 (0.36) PTGS2S1PR1NPC1RAB9A
Hydrochloric Acid SCHEMBL6889741 0.87 PTGS2 (0.34) PTGS2ALDH1A1HPGDHSD17B10KDM4E
Hydrochloric Acid SCHEMBL6894581 0.86 CYP3A4 (0.34) PTGS2ALDH1A1HPGDHSD17B10KDM4E
Hydrochloric Acid SCHEMBL6890701 0.86 PTGS2 (0.34) PTGS2ALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL6892465 0.86 PTGS2 (0.36) PTGS2ALDH1A1HTR1AHTR7LMNA
Hydrochloric Acid SCHEMBL6893616 0.85 CYP3A4 (0.34) PTGS2ALDH1A1HPGDHSD17B10KDM4E
Hydrochloric Acid SCHEMBL6893291 0.85 CYP3A4 (0.35) ALDH1A1HPGDHSD17B10CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL6890651 0.85 PTGS2 (0.34) PTGS2HTR1AHTR7

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-6784305-B2 DERIVATIVES OF ZIRCONOCENE DICHLORIDE IN WHICH THE TWO SUBSTITUTED INDENYL GROUPS ARE JOINED TO ONE ANOTHER VIA A BRIDGE CAN, OWING TO THEIR CONFORMATIONAL RIGIDITY, BE USED AS CATALYSTS FOR THE STEREOSPECIFIC POLYMERIZATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2004-08-31 US disclosed
US-20030199703-A1 Method for producing alkyl-bridged ligand systems and transition metal compounds EQUISTAR CHEMICALS, LP 2003-10-23 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-20030199703-A1 Method for producing alkyl-bridged ligand systems and transition metal compounds ABL1, ICMT, ORAI2 PTGS2 1334/4885ALDH1A1 1825/4885HPGD 1542/4885

“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.