Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6891631

CCCCC1=Cc2c(-c3ccc(OC)cc3)cccc2C1[Hf+2]1(C2C(CCCC)=Cc3c(-c4ccc(OC)cc4)cccc32)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 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.35
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
ZAP70 P43403 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CDK5 Q00535 1/20 0.33
PTK2B Q14289 1/20 0.33
CDK5R1 Q15078 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
SYK P43405 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
HRH2 P25021 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ABL1 P00519 1/20 0.32
ABCB1 P08183 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 SCHEMBL6891926 0.96 DRD2 (0.34) DRD2CCNB2CDK1CCNB1CCNE1
Hydrochloric Acid SCHEMBL6889655 0.93 DRD2 (0.36) DRD2CCNB2CDK1CCNB1GSK3A
Hydrochloric Acid SCHEMBL6892859 0.89 DRD2 (0.35) DRD2SYKAURKBINCENPABL1
Hydrochloric Acid SCHEMBL6885741 0.89 SYK (0.35) DRD2SYKAURKBINCENPABL1
Hydrochloric Acid SCHEMBL6894022 0.88
Hydrochloric Acid SCHEMBL6889218 0.88 BCHE (0.31)
Hydrochloric Acid SCHEMBL6886411 0.87 NISCH (0.32)
Hydrochloric Acid SCHEMBL6893011 0.87 EDNRB (0.31)
Hydrochloric Acid SCHEMBL6891618 0.85 CNR1 (0.33) DRD2CCNB2CDK1CCNB1CCNE1
Hydrochloric Acid SCHEMBL6893598 0.85 BCL2 (0.31)

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 DRD2 1104/4885CCNB2 1796/4885CDK1 1445/4885

“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.