SCHEMBL5477273

SCHEMBL5477273

CC1(C)O[C@H]2O[C@H]([C@H](O)COCc3ccccc3)[C@@H](ON=[N+]=[N-])[C@H]2O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
THPO P40225 1/20 0.38
CYP3A4 P08684 4/20 0.33
CYP2D6 P10635 2/20 0.33
HIF1A Q16665 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 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
SCHEMBL9547949 0.85 KMT2A (0.56) HTTKMT2AMEN1ALDH1A1POLB
SCHEMBL14414827 0.84 HTT (0.44) HTTKMT2AMEN1ALDH1A1POLB
SCHEMBL7147435 0.80 ALDH1A1 (0.61) HTTKMT2AMEN1ALDH1A1POLB
SCHEMBL8908723 0.79 CYP3A4 (0.39) HTTKMT2AMEN1ALDH1A1POLB
SCHEMBL11357633 0.77 MEN1 (0.59) HTTKMT2AMEN1ALDH1A1POLB
SCHEMBL7451566 0.75 HTT (0.58) HTTKMT2APOLBCA1CA2
SCHEMBL23990344 0.74 MEN1 (0.70) HTTKMT2AMEN1ALDH1A1POLB
SCHEMBL23969062 0.74 MEN1 (0.70) HTTKMT2AMEN1ALDH1A1POLB
SCHEMBL21135338 0.74 MEN1 (0.70) HTTKMT2AMEN1ALDH1A1POLB
SCHEMBL24063582 0.74 MEN1 (0.70) HTTKMT2AMEN1ALDH1A1POLB

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 HTT 1675/4885KMT2A 3126/4885MEN1 4527/4885

“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.