SCHEMBL414620

SCHEMBL414620

C=CCCCCCCO[C@@H]1O[C@H](COCc2ccccc2)[C@@H](O)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.48
SSTR1 P30872 6/20 0.47
SSTR2 P30874 6/20 0.47
SSTR4 P31391 6/20 0.47
SSTR3 P32745 6/20 0.47
SSTR5 P35346 6/20 0.47
SLC2A1 P11166 1/20 0.46
ADRB2 P07550 1/20 0.43
SLC6A2 P23975 2/20 0.42
NT5E P21589 1/20 0.41
GJB2 P29033 1/20 0.41
PTPN1 P18031 3/20 0.40
CDC25B P30305 3/20 0.40
PTPN2 P17706 1/20 0.40
PTPN6 P29350 1/20 0.40
PTPN11 Q06124 1/20 0.40

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
SCHEMBL22677471 0.96 TACR1 (0.46) TACR1SSTR1SSTR2SSTR4SSTR3
SCHEMBL414621 0.91 SSTR4 (0.57) TACR1SSTR1SSTR2SSTR4SSTR3
SCHEMBL14088875 0.88 SSTR1 (0.46) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL10031515 0.86 SLC6A2 (0.42) TACR1SSTR1SSTR2SSTR4SSTR3
SCHEMBL14088874 0.85 GJB2 (0.47) TACR1SSTR1SSTR2SSTR4SSTR3
SCHEMBL7567428 0.85 SLC6A2 (0.47) TACR1SSTR1SSTR2SSTR4SSTR3
SCHEMBL20139723 0.85 SLC6A2 (0.47) TACR1SSTR1SSTR2SSTR4SSTR3
SCHEMBL22683015 0.85 SLC6A2 (0.47) TACR1SSTR1SSTR2SSTR4SSTR3
SCHEMBL7567425 0.85 SLC6A2 (0.47) TACR1SSTR1SSTR2SSTR4SSTR3
SCHEMBL23742931 0.83 NT5E (0.51) TACR1SSTR1SSTR2SSTR4SSTR3

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-8974793-B2 Methods and systems for inducing immunologic tolerance to non-self antigens THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2015-03-10 US disclosed
US-20120021056-A1 Methods and Systems for Inducing Immunologic Tolerance to Non-Self Antigens THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2012-01-26 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-20120021056-A1 Methods and Systems for Inducing Immunologic Tolerance to Non-Self Antigens CD47, CD74, HLA-C TACR1 2958/4885SSTR1 1386/4885SSTR2 1991/4885

“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.