SCHEMBL5476252

SCHEMBL5476252

CC(=O)[C@]1(O)[C@](O)(Cc2ccccc2)O[C@H](C(O)Cc2ccccc2)[C@@]1(O)Cc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.34
PKM P14618 1/20 0.34
PTGS1 P23219 1/20 0.34
XIAP P98170 1/20 0.34
SLC7A5 Q01650 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
CYP1A2 P05177 1/20 0.33
CTRB1 P17538 4/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 1/20 0.32
SLC15A1 P46059 1/20 0.32
ALPL P05186 1/20 0.31
POLB P06746 1/20 0.31
ALPG P10696 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL1660908 0.80 MTNR1A (0.33) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9219602 0.79 CTRB1 (0.32) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL5466217 0.73 ANPEP (0.32)
SCHEMBL3169238 0.73 ANPEP (0.32)
SCHEMBL16099547 0.73 ALDH1A1 (0.31) ALDH1A1CYP3A4
SCHEMBL9716882 0.72 GRIN2D (0.31)
SCHEMBL7508602 0.72 TRPA1 (0.31)
SCHEMBL4024044 0.71 CYP1A2 (0.34) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7545125 0.71 GRIN2D (0.30)
SCHEMBL28574730 0.71 GRIN2D (0.30)

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 ALPI 4718/4885PKM 4205/4885PTGS1 1611/4885

“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.