SCHEMBL2379683

SCHEMBL2379683

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
KDM4E B2RXH2 1/20 0.35
DUSP3 P51452 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
HRH3 Q9Y5N1 1/20 0.33
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
EPHX1 P07099 1/20 0.31
DGKA P23743 1/20 0.31
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
PDE4B Q07343 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
Glycerin SCHEMBL2379679 0.84 BTK (0.36) ADRB2ADRB1ADRB3HRH3CTSS
SCHEMBL1296809 0.83 TP53 (0.40) ADRB2ADRB1ADRB3TP53CYP3A4
SCHEMBL16687851 0.83 ADRB2 (0.42) ADRB2ADRB1ADRB3TP53CYP3A4
SCHEMBL27540841 0.81 TP53 (0.41) ADRB2ADRB1ADRB3TP53CYP3A4
SCHEMBL22778364 0.80 ADRB2 (0.40) ADRB2ADRB1ADRB3TP53CYP3A4
SCHEMBL1296115 0.79 EPHX1 (0.41) TP53CYP3A4HRH3EPHX1PDE4B
SCHEMBL1296629 0.78 TP53 (0.41) ADRB2ADRB1ADRB3TP53CYP3A4
SCHEMBL1296122 0.78 TP53 (0.43) TP53CYP3A4MEN1KMT2A
SCHEMBL12774684 0.76 ADRB2 (0.46) ADRB2ADRB1ADRB3TP53CYP3A4
SCHEMBL1296382 0.75 TP53 (0.41) TP53CYP3A4MEN1KMT2AEPHX1

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 ADRB2 4247/4885ADRB1 4208/4885ADRB3 4455/4885

“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.