Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2053496

CC(C)(C)N[Ti+2](=C(c1ccccc1)c1ccccc1)C1c2ccccc2-c2ccccc21.[Cl-].[Cl-]

nearest known ligand 0.37

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
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
ATM Q13315 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30
NCOR2 Q9Y618 1/20 0.30
GPR3 P46089 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
Hydrochloric Acid SCHEMBL2053777 0.83 POLB (0.35) KMT2AMEN1LMNAPOLBATM
Hydrochloric Acid SCHEMBL6905914 0.73 MAPT (0.33) KMT2AMEN1LMNAPOLBATM
Hydrochloric Acid SCHEMBL2049914 0.72 GPR3 (0.34) KMT2AMEN1POLBATMHDAC3
Hydrochloric Acid SCHEMBL2053671 0.70 GPR3 (0.32) KMT2AMEN1POLBATMGPR3
Hydrochloric Acid SCHEMBL2050881 0.70 MEN1 (0.31) KMT2AMEN1POLBATMGPR3
Hydrochloric Acid SCHEMBL2037710 0.70 MEN1 (0.43) KMT2AMEN1LMNAPOLBHDAC3
Hydrochloric Acid SCHEMBL2039364 0.69 KCNK3 (0.44) LMNA
Hydrochloric Acid SCHEMBL2049455 0.69 MEN1 (0.30) KMT2AMEN1POLBATM
Hydrochloric Acid SCHEMBL2038962 0.67 MEN1 (0.46) KMT2AMEN1LMNA
Hydrochloric Acid SCHEMBL6911183 0.66

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
US-20110160502-A1 Process for Producing Novel Synthetic Basestocks EXXONMOBIL CHEMICAL PATENTS INC. 2011-06-30 US disclosed
WO-2011079042-A2 PROCESS FOR PRODUCING NOVEL SYNTHETIC BASESTOCKS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-06-30 WO 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 KMT2A 3597/4885MEN1 2463/4885LMNA 1165/4885
US-20110160502-A1 Process for Producing Novel Synthetic Basestocks PYM1, SPIN4, SCO2 KMT2A 4148/4885MEN1 2848/4885LMNA 1607/4885

“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.