Hydrochloric Acid

Hydrochloric Acid

SCHEMBL715743

Cc1ccc(C(c2ccc(C)cc2)=[Ti+2](C2=CC=CC2)C2c3cc(C4CCCCC4)ccc3-c3ccc(C4CCCCC4)cc32)cc1.[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 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
KMO O15229 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 SCHEMBL714471 0.92 KMO (0.33) S1PR1SMN1; SMN2ALDH1A1LMNATP53
Hydrochloric Acid SCHEMBL714597 0.91 KMO (0.39) S1PR1ALDH1A1KMO
Hydrochloric Acid SCHEMBL714043 0.85 MEN1 (0.30) LMNA
Hydrochloric Acid SCHEMBL716455 0.85 PDK2 (0.32) KMO
Hydrochloric Acid SCHEMBL716579 0.82 KMO (0.41) ALDH1A1KMO
Hydrochloric Acid SCHEMBL715838 0.82 NOS3 (0.32) KMO
Hydrochloric Acid SCHEMBL714165 0.81 KMO (0.38) S1PR1ALDH1A1KMO
Hydrochloric Acid SCHEMBL720231 0.80 NPC1 (0.32) MAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL716741 0.80 LMNA (0.30) LMNA
Hydrochloric Acid SCHEMBL715324 0.79 TSHR (0.31) SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8357765-B2 Process for producing catalyst component for addition polymerization SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-22 US disclosed
US-8288490-B2 Process for producing catalyst component for addition polymerization SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-16 US disclosed
US-20120053306-A1 PROCESS FOR PRODUCING CATALYST COMPONENT FOR ADDITION POLYMERIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-01 US disclosed
US-20120053311-A1 PROCESS FOR PRODUCING CATALYST COMPONENT FOR ADDITION POLYMERIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-01 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-20120053306-A1 PROCESS FOR PRODUCING CATALYST COMPONENT FOR ADDITION POLYMERIZATION PPOX, SOD1, AP1M1 S1PR1 4845/4885SMN1; SMN2 3285/4885ALDH1A1 1442/4885

“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.