SCHEMBL21183343

SCHEMBL21183343

CCC(CC)C(=O)OC1CC(CCCCCOC)OC(CO)C1OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR2 P21452 2/20 0.39
▸ PDE4D Q08499 2/20 0.38
▸ SSTR1 P30872 3/20 0.36
▸ SSTR2 P30874 3/20 0.36
▸ SSTR4 P31391 3/20 0.36
▸ SSTR3 P32745 3/20 0.36
▸ SSTR5 P35346 3/20 0.36
▸ LGALS8 O00214 1/20 0.35
▸ SLC6A2 P23975 1/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ CYP3A4 P08684 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ LMNA P02545 1/20 0.32

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
SCHEMBL17867806 0.82 TACR2 (0.43) TACR2PDE4DLGALS8SLC6A2CYP3A4
SCHEMBL17867722 0.74 TACR2 (0.39) TACR2PDE4DSSTR1SSTR2SSTR4
SCHEMBL17867746 0.73 TACR2 (0.45) TACR2PDE4DSSTR1SSTR2SSTR4
SCHEMBL17867749 0.70 SSTR1 (0.41) TACR2PDE4DSSTR1SSTR2SSTR4
SCHEMBL17867777 0.69 TACR2 (0.45) TACR2PDE4DSSTR1SSTR2SSTR4
SCHEMBL20725162 0.69 TACR2 (0.41) TACR2PDE4DLGALS8SLC6A2CYP3A4
SCHEMBL17867776 0.69 TACR2 (0.35) TACR2
SCHEMBL17867754 0.67 TACR2 (0.38) TACR2PDE4DSSTR1SSTR2SSTR4
SCHEMBL21176708 0.66 TACR2 (0.44) TACR2PDE4DSSTR1SSTR2SSTR4
SCHEMBL17867747 0.66 TACR2 (0.44) TACR2PDE4DSSTR1SSTR2SSTR4

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-11026960-B2 Esters of 2-deoxy-monosaccharides with anti proliferative activity BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-06-08 — — US disclosed
US-20190224225-A1 ESTERS OF 2-DEOXY-MONOSACCHARIDES WITH ANTI PROLIFERATIVE ACTIVITY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-07-25 — — 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-20190224225-A1 ESTERS OF 2-DEOXY-MONOSACCHARIDES WITH ANTI PROLIFERATIVE ACTIVITY SLC2A2, SLC2A1, SLC2A4 TACR2 4635/4885PDE4D 2417/4885SSTR1 1912/4885
US-11026960-B2 Esters of 2-deoxy-monosaccharides with anti proliferative activity SLC2A2, SLC2A1, SLC2A4 TACR2 4635/4885PDE4D 2417/4885SSTR1 1912/4885

“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.

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