Glycerin

Glycerin

SCHEMBL2379679

CC(C)(C)OC(=O)C1CCCCC1C(=O)O.OCC(O)CO

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PEPD P12955 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33

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
Ethylene Glycol SCHEMBL1296627 0.87 BTK (0.40) BTKPEPD
SCHEMBL1296980 0.87 BTK (0.44) BTKPEPD
SCHEMBL2379683 0.84 ADRB2 (0.46) ADRB2ADRB1ADRB3CTSSCTSK
SCHEMBL15023147 0.84 BTK (0.47) BTKPEPD
SCHEMBL18590666 0.84 BTK (0.47) BTKPEPD
SCHEMBL23004339 0.84 BTK (0.47) BTKPEPD
Glycerin SCHEMBL29573229 0.82 PEPD (0.45) PEPDTAAR1
SCHEMBL20405088 0.80 BTK (0.46) BTKHRH3
SCHEMBL1296115 0.80 EPHX1 (0.41) BTKHRH3
SCHEMBL27540841 0.76 TP53 (0.41) ADRB2ADRB1ADRB3PEPD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8535436-B2 Use of cyclohexane polycarboxylic acid derivatives for removing dust from chemical construction products CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2013-09-17 US disclosed
US-20110209644-A1 Use of Cyclohexane Polycarboxylic Acid Derivatives For Removing Dust From Chemical Construction Products CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2011-09-01 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-20110209644-A1 Use of Cyclohexane Polycarboxylic Acid Derivatives For Removing Dust From Chemical Construction Products H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HPD, HCAR2 BTK 4869/4885ADRB2 4247/4885ADRB1 4208/4885

“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.