Hydrochloric Acid

Hydrochloric Acid

SCHEMBL17836909

Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2=P(C2CCCCC2)(C2CCCCC2)C2CCCCC2)c(C)c1.FC(F)=[Ru+2].[Cl-].[Cl-]

nearest known ligand 0.33

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 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CRHR1 P34998 10/20 0.32
TAS1R3 Q7RTX0 2/20 0.31
TAS1R1 Q7RTX1 2/20 0.31
TAS1R2 Q8TE23 2/20 0.31
EPHX2 P34913 2/20 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 SCHEMBL6015183 0.90 ALDH1A1 (0.34) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL23087150 0.89 ALDH1A1 (0.35) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL6015185 0.85 ALDH1A1 (0.33) ALDH1A1POLBMAPTHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL15333566 0.81
Hydrochloric Acid SCHEMBL1007082 0.81 TACR1 (0.31)
Hydrochloric Acid SCHEMBL1007240 0.79
SCHEMBL19712595 0.77 MEN1 (0.30) CRHR1
SCHEMBL4608209 0.75
SCHEMBL15333568 0.74
Hydrochloric Acid SCHEMBL15135074 0.73 TAS1R3 (0.32) ALDH1A1POLBMAPTHTTSMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10421702-B2 Method for producing fluorine-containing olefin AGC Inc. (JP) 2019-09-24 US disclosed
US-20180086684-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING OLEFIN ASAHI GLASS COMPANY, LIMITED (JP) 2018-03-29 US disclosed
US-9796647-B2 Method for producing fluorine-containing olefin ASAHI GLASS COMPANY, LIMITED (JP) 2017-10-24 US disclosed
US-20170101360-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING OLEFIN ASAHI GLASS COMPANY, LIMITED (JP) 2017-04-13 US disclosed
US-9598335-B2 Method for producing fluorine-containing olefin ASAHI GLASS COMPANY, LIMITED (JP) 2017-03-21 US disclosed
EP-3042889-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING OLEFIN Asahi Glass Company, Limited (JP) 2016-07-13 EP disclosed
US-20160176791-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING OLEFIN ASAHI GLASS COMPANY, LIMITED (JP) 2016-06-23 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 (4 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-20180086684-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING OLEFIN FOS, CYP2F1, CYP4F11 ALDH1A1 607/4885POLB 1860/4885MAPT 1704/4885
US-10421702-B2 Method for producing fluorine-containing olefin FOS, CYP2F1, CYP4F11 ALDH1A1 607/4885POLB 1860/4885MAPT 1704/4885
US-20170101360-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING OLEFIN FOS, CYP2F1, CYP4F11 ALDH1A1 607/4885POLB 1860/4885MAPT 1704/4885
US-20160176791-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING OLEFIN FOS, CYP2F1, CYP4F11 ALDH1A1 607/4885POLB 1860/4885MAPT 1704/4885

“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.