Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2033382

CC(C)=[Ti+2](NC(=O)C1CCCCCCCCCCC1)C1c2ccccc2-c2ccccc21.[Cl-].[Cl-]

nearest known ligand 0.44

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 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.44
HPGD P15428 1/20 0.42
ALDH1A1 P00352 3/20 0.42
P2RX7 Q99572 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
CETP P11597 1/20 0.39
HDAC3 O15379 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
LMNA P02545 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
Hydrochloric Acid SCHEMBL2039364 0.85 KCNK3 (0.44) CYP2C19HPGDALDH1A1SMN1; SMN2KCNK3
Hydrochloric Acid SCHEMBL2035441 0.81 CYP2C19 (0.46) CYP2C19HPGDALDH1A1P2RX7KDM4E
Hydrochloric Acid SCHEMBL2040601 0.81 CYP2C19 (0.43) CYP2C19HPGDALDH1A1P2RX7KDM4E
Hydrochloric Acid SCHEMBL5856427 0.81 CYP2C19 (0.43) CYP2C19HPGDALDH1A1P2RX7KDM4E
Hydrochloric Acid SCHEMBL5853691 0.81 CYP2C19 (0.43) CYP2C19HPGDALDH1A1P2RX7KDM4E
Hydrochloric Acid SCHEMBL5852878 0.79 CYP2C19 (0.41) CYP2C19HPGDALDH1A1P2RX7KDM4E
Hydrochloric Acid SCHEMBL2036881 0.77 HPGD (0.44) CYP2C19HPGDALDH1A1P2RX7KDM4E
Hydrochloric Acid SCHEMBL2037710 0.76 MEN1 (0.43) HPGDALDH1A1KDM4ESMN1; SMN2HDAC1
Hydrochloric Acid SCHEMBL2036089 0.76 HPGD (0.43) CYP2C19HPGDALDH1A1SMN1; SMN2HDAC1
Hydrochloric Acid SCHEMBL5853355 0.76 HPGD (0.43) CYP2C19HPGDALDH1A1SMN1; SMN2HDAC1

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-9701595-B2 Process for producing novel synthetic basestocks EXXONMOBIL CHEMICAL PATENTS INC. (US) 2017-07-11 US disclosed
EP-2516598-B1 PROCESS FOR PRODUCING NOVEL SYNTHETIC BASESTOCKS EXXONMOBIL CHEM PATENTS INC (US) 2016-06-29 EP disclosed
US-8530712-B2 Process for producing novel synthetic basestocks EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-09-10 US disclosed
US-20130131410-A1 Process for Producing Novel Synthetic Basestocks EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-05-23 US disclosed
EP-2516598-A2 PROCESS FOR PRODUCING NOVEL SYNTHETIC BASESTOCKS Exxonmobil Chemical Patents Inc. (US) 2012-10-31 EP disclosed
WO-2011079042-A2 PROCESS FOR PRODUCING NOVEL SYNTHETIC BASESTOCKS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-06-30 WO disclosed
US-20110160502-A1 Process for Producing Novel Synthetic Basestocks EXXONMOBIL CHEMICAL PATENTS INC. 2011-06-30 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 (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-20130131410-A1 Process for Producing Novel Synthetic Basestocks PYM1, SCO2, SPIN4 CYP2C19 4717/4885HPGD 4503/4885ALDH1A1 4882/4885
US-20110160502-A1 Process for Producing Novel Synthetic Basestocks PYM1, SPIN4, SCO2 CYP2C19 4731/4885HPGD 4535/4885ALDH1A1 4881/4885

“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.