Hydrochloric Acid

Hydrochloric Acid

SCHEMBL814052

CCc1cccc(CC)c1NCCN(C)CCNc1c(C)cccc1C.[Cl-].[Cl-].[Co+2]

nearest known ligand 0.42

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 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 2/20 0.41
ALOX12 P18054 1/20 0.41
RAB9A P51151 1/20 0.40
PTGS2 P35354 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
NLRP3 Q96P20 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.38

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
Bromide SCHEMBL813369 0.97 ALDH1A1 (0.42) ALDH1A1HSD17B10KDM4EMAPTHPGD
Hydrochloric Acid SCHEMBL813519 0.92 KCNH2 (0.39) ALDH1A1HSD17B10KDM4EMAPTHPGD
Hydrochloric Acid SCHEMBL813580 0.91 KCNH2 (0.40) ALDH1A1HSD17B10KDM4EMAPTHPGD
Hydrochloric Acid SCHEMBL813522 0.90 GAA (0.39) ALDH1A1HSD17B10KDM4EMAPTHPGD
Bromide SCHEMBL813304 0.89 KCNH2 (0.39) ALDH1A1HSD17B10KDM4EMAPTHPGD
Hydrochloric Acid SCHEMBL813881 0.89 KCNH2 (0.39) ALDH1A1HSD17B10KDM4EMAPTHPGD
Hydrochloric Acid SCHEMBL813280 0.89 KCNH2 (0.39) ALDH1A1HSD17B10KDM4EMAPTHPGD
Hydrochloric Acid SCHEMBL813679 0.89 KCNH2 (0.39) ALDH1A1HSD17B10KDM4EMAPTHPGD
Hydrochloric Acid SCHEMBL813091 0.89 MAPT (0.36) ALDH1A1KDM4EMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL813027 0.89 ALDH1A1 (0.36) ALDH1A1HSD17B10KDM4EMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058372-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-11-15 US disclosed
US-20080319147-A1 Catalyst Composition II EXXONMOBIL CHEMICAL PATENTS INC. 2008-12-25 US disclosed
US-7371803-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-05-13 US disclosed
US-20070066776-A1 Catalyst composition II SOLAN GREGORY A 2007-03-22 US disclosed
US-7189791-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-03-13 US disclosed
US-20040266961-A1 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-30 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-20040266961-A1 Catalyst composition II MLX, CBX2, BMX ALDH1A1 4593/4885HSD17B10 3328/4885KDM4E 1089/4885

“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.