SCHEMBL15725533

SCHEMBL15725533

CCCCOC(=O)[C@H](O)[C@@H](O)C(C)=O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
ATM Q13315 1/20 0.47
TSHR P16473 5/20 0.44
HPGD P15428 1/20 0.44
HCAR2 Q8TDS4 1/20 0.41
NAAA Q02083 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EPHX1 P07099 1/20 0.38
LMNA P02545 1/20 0.38
ESR1 P03372 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
NR1H2 P55055 1/20 0.38
RNASEL Q05823 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACHE P22303 4/20 0.37

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
SCHEMBL1547992 0.91 ALDH1A1 (0.58) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL7412284 0.91 ALDH1A1 (0.58) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL8637991 0.91 ALDH1A1 (0.58) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL10731279 0.91 ALDH1A1 (0.58) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL74371 0.91 ALDH1A1 (0.58) ALDH1A1ATMTSHRHPGDHCAR2
Butanedione SCHEMBL2230282 0.89 ALDH1A1 (0.58) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL10731267 0.89 ALDH1A1 (0.56) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL370998 0.85 NAAA (0.56) ALDH1A1ATMTSHRHCAR2NAAA
SCHEMBL30525457 0.85 NAAA (0.56) ALDH1A1ATMTSHRHCAR2NAAA
SCHEMBL8030448 0.83 ALDH1A1 (0.50) ALDH1A1ATMTSHRHPGDHCAR2

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-20140142052-A1 PHOSPHORYLATED POLYOLS, PYROPHOSPHATES, AND DERIVATIVES THEREOF HAVING BIOLOGICAL ACTIVITY NORMOXYS, INC. (US) 2014-05-22 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-20140142052-A1 PHOSPHORYLATED POLYOLS, PYROPHOSPHATES, AND DERIVATIVES THEREOF HAVING BIOLOGICAL ACTIVITY PPIP5K2, PHOSPHO1, PIK3CA ALDH1A1 4833/4885ATM 1006/4885TSHR 2463/4885

“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.