SCHEMBL17148773

SCHEMBL17148773

C=CC1CC(C(=O)OC)C[C@@H](O)[C@@H]1OC1O[C@@H](C)[C@H](OCc2ccccc2)C(OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.36
PTPN1 P18031 4/20 0.36
ACHE P22303 1/20 0.33
SLC6A2 P23975 1/20 0.33
GJB2 P29033 1/20 0.33
PTPN2 P17706 2/20 0.33
PTPN11 Q06124 1/20 0.33
ALDH1A1 P00352 2/20 0.33
RECQL P46063 1/20 0.32
PDPK1 O15530 1/20 0.32
MTOR P42345 1/20 0.32
SSTR1 P30872 1/20 0.32
SSTR2 P30874 1/20 0.32
SSTR4 P31391 1/20 0.32
SSTR3 P32745 1/20 0.32
SSTR5 P35346 1/20 0.32
CPB1 P15086 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
SCHEMBL17148761 1.00 BCHE (0.36) BCHEPTPN1ACHESLC6A2GJB2
SCHEMBL19479297 1.00 BCHE (0.36) BCHEPTPN1ACHESLC6A2GJB2
SCHEMBL19479353 1.00 BCHE (0.36) BCHEPTPN1ACHESLC6A2GJB2
SCHEMBL22050897 0.87 PTPN1 (0.37) BCHEPTPN1GJB2PTPN2PTPN11
SCHEMBL17777232 0.83
SCHEMBL17777234 0.83
SCHEMBL19491796 0.83
SCHEMBL17151668 0.83
SCHEMBL2012813 0.83 BCHE (0.40) BCHEPTPN1ACHESLC6A2GJB2
SCHEMBL2012812 0.83 BCHE (0.40) BCHEPTPN1ACHESLC6A2GJB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150284420-A1 E-SELECTIN ANTAGONIST COMPOUNDS AND METHODS OF USE GLYCOMIMETICS, INC. (US) 2015-10-08 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-20150284420-A1 E-SELECTIN ANTAGONIST COMPOUNDS AND METHODS OF USE SELE, SELPLG, SELP BCHE 2217/4885PTPN1 1471/4885ACHE 3166/4885

“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.