SCHEMBL5477128

SCHEMBL5477128

CC1(C)O[C@H]2O[C@H](C(O)Cc3ccccc3)[C@H](O)[C@H]2O1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
HPGD P15428 2/20 0.58
POLB P06746 1/20 0.58
ATM Q13315 1/20 0.58
CYP3A4 P08684 5/20 0.42
CYP2D6 P10635 2/20 0.42
HIF1A Q16665 1/20 0.42
MAPT P10636 1/20 0.40
LMNA P02545 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP1A2 P05177 1/20 0.39
THPO P40225 1/20 0.39

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
SCHEMBL5470537 1.00 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AHPGDPOLB
SCHEMBL7147435 0.85 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AHPGDPOLB
SCHEMBL11684446 0.81 KMT2A (0.57) ALDH1A1MEN1KMT2AHPGDPOLB
SCHEMBL7300749 0.81 TRPA1 (0.41) ALDH1A1MEN1KMT2AHPGDPOLB
SCHEMBL7277789 0.81 TRPA1 (0.41) ALDH1A1MEN1KMT2AHPGDPOLB
SCHEMBL9708802 0.81 TRPA1 (0.41) ALDH1A1MEN1KMT2AHPGDPOLB
SCHEMBL9708851 0.81 TRPA1 (0.41) ALDH1A1MEN1KMT2AHPGDPOLB
SCHEMBL12285475 0.81 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AHPGDPOLB
SCHEMBL7154332 0.79 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AHPGDPOLB
SCHEMBL24673548 0.78 LMNA (0.53) ALDH1A1MEN1KMT2AHPGDPOLB

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 ALDH1A1 1110/4885MEN1 4527/4885KMT2A 3126/4885

“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.