Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3208211

CC(C)c1cccc(C(C)C)c1N=C1CCCc2cc3c(nc21)C(=Nc1c(C(C)C)cccc1C(C)C)CCC3.[Cl-].[Cl-].[Fe+2]

nearest known ligand 0.31

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 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
GLA P06280 1/20 0.30
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 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
SCHEMBL14804878 0.97 KDM4E (0.32) KDM4EALDH1A1CYP1A2GLACYP3A4
SCHEMBL3209293 0.97 KDM4E (0.32) KDM4EALDH1A1CYP1A2GLACYP3A4
Hydrochloric Acid SCHEMBL3198202 0.82 MAPT (0.36) KDM4E
SCHEMBL13418972 0.79 MAPT (0.37) KDM4EALDH1A1CYP1A2CYP3A4HPGD
SCHEMBL3198441 0.79 MAPT (0.37) KDM4EALDH1A1CYP1A2CYP3A4HPGD
SCHEMBL3198438 0.79 MAPT (0.37) KDM4EALDH1A1CYP1A2CYP3A4HPGD
SCHEMBL4056846 0.76 GABRA1 (0.40) TAAR1ALDH1A1CYP1A2CYP3A4HPGD
SCHEMBL4056848 0.76 GABRA1 (0.40) TAAR1ALDH1A1CYP1A2CYP3A4HPGD
SCHEMBL12020994 0.76 MAPT (0.34) KDM4EALDH1A1
SCHEMBL5589488 0.74 GABRA1 (0.39) CYP1A2CYP3A4HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773895-B1 CATALYSTS FOR OLEFIN POLYMERIZATION OR OLIGOMERIZATION DU PONT (US) 2011-12-28 EP disclosed
US-7683149-B2 Catalysts for olefin polymerization or oligomerization E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-03-23 US disclosed
US-20080287621-A1 Catalysts for olefin polymerization or oligomerization DUPONT POLYMERS, INC. 2008-11-20 US disclosed
US-7442819-B2 Catalysts for olefin polymerization or oligomerization E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-10-28 US disclosed
US-20060009597-A1 Catalysts for olefin polymerization or oligomerization DUPONT POLYMERS, INC. 2006-01-12 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 (2 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-20060009597-A1 Catalysts for olefin polymerization or oligomerization PPOX, HMOX1, NOD2 TAAR1 857/4885KDM4E 3147/4885ALDH1A1 3720/4885
US-20080287621-A1 Catalysts for olefin polymerization or oligomerization PPOX, HMOX1, NOD2 TAAR1 857/4885KDM4E 3147/4885ALDH1A1 3720/4885

“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.