Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6885754

C1=C(C2CCCCC2)C([Ti+2]2(C3C(C4CCCCC4)=Cc4c3ccc3ccccc43)CC2)c2ccc3ccccc3c21.[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 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 1/20 0.37
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 2/20 0.32
DRD2 P14416 1/20 0.32
SLC6A4 P31645 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
MAPT P10636 1/20 0.31
MPI P34949 1/20 0.31
EPHX1 P07099 1/20 0.31
MEN1 O00255 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 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 SCHEMBL6885739 0.99 CYP1B1 (0.35) CYP1B1ALDH1A1CYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL6886324 0.96 CYP1B1 (0.36) CYP1B1ALDH1A1CYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL6895556 0.95 CYP1B1 (0.34) CYP1B1ALDH1A1CYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL6892405 0.88 CYP1B1 (0.32) CYP1B1DRD2SLC6A4MTNR1A
Hydrochloric Acid SCHEMBL6892414 0.86 DRD2 (0.32) CYP1B1DRD2SLC6A4MTNR1A
Hydrochloric Acid SCHEMBL6890426 0.86 KDM4E (0.34) CYP1B1ALDH1A1CYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL6891234 0.84 KDM4E (0.34) CYP1B1ALDH1A1CYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL6890416 0.84 CYP1B1 (0.32) CYP1B1DRD2SLC6A4MTNR1A
Hydrochloric Acid SCHEMBL6892117 0.83 DRD2 (0.32) CYP1B1DRD2SLC6A4MTNR1A
Hydrochloric Acid SCHEMBL6890849 0.82 CES1 (0.33) CYP1B1ALDH1A1HIF1AHSD17B10MEN1

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 CYP1B1 617/4885ALDH1A1 1825/4885CYP1A2 138/4885

“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.