SCHEMBL5475296

SCHEMBL5475296

CC(=O)O[C@H]1[C@@H](OCc2ccccc2)O[C@H](CO)[C@H]1OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.47
LGALS8 O00214 1/20 0.47
SLC6A2 P23975 1/20 0.45
LMNA P02545 2/20 0.44
PTPN1 P18031 3/20 0.44
CDC25B P30305 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 1/20 0.44
NT5E P21589 1/20 0.43
KMT2A Q03164 1/20 0.43
LGALS9 O00182 1/20 0.42

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
SCHEMBL14414823 1.00 TACR2 (0.47) TACR2LGALS8SLC6A2LMNAPTPN1
SCHEMBL970383 0.91 LGALS8 (0.54) LGALS8SLC6A2LMNAPTPN1ALDH1A1
SCHEMBL970381 0.91 LGALS8 (0.54) LGALS8SLC6A2LMNAPTPN1ALDH1A1
SCHEMBL6896371 0.91 LGALS8 (0.52) TACR2LGALS8SLC6A2PTPN1CYP2D6
SCHEMBL12917696 0.91 LGALS8 (0.54) LGALS8SLC6A2LMNAPTPN1ALDH1A1
SCHEMBL9798087 0.91 LMNA (0.48) TACR2LGALS8SLC6A2LMNAPTPN1
SCHEMBL9798078 0.91 LMNA (0.48) TACR2LGALS8SLC6A2LMNAPTPN1
SCHEMBL25084211 0.90 NT5E (0.48) TACR2LGALS8SLC6A2LMNAPTPN1
SCHEMBL14414816 0.88 NT5E (0.57) TACR2LMNAPTPN1CDC25BNT5E
SCHEMBL9778036 0.88 LGALS8 (0.53) LGALS8SLC6A2POLBLGALS9

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-20070225246-A1 O-acetyl-ADP-ribose non-hydrolyzable analogs NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-09-27 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-20070225246-A1 O-acetyl-ADP-ribose non-hydrolyzable analogs PARP1, TIPARP, CD38 TACR2 4735/4885LGALS8 1704/4885SLC6A2 4832/4885

“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.